The Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE

NASA Astrophysics Data System (ADS)

Vandenbroucke, B.; Wood, K.

2018-04-01

We present the public Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE, which can be used to simulate the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given type, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code, but also as a moving-mesh code.

FUV Emission from AGB Stars: Modeling Accretion Activity Associated with a Binary Companion

NASA Technical Reports Server (NTRS)

Stevens, Alyx Catherine; Sahai, Raghvendra

2012-01-01

It is widely believed that the late stages of evolution for Asymptotic Giant Branch (AGB) stars are influenced by the presence of binary companions. Unfortunately, there is a lack of direct observational evidence of binarity. However, more recently, strong indirect evidence comes from the discovery of UV emission in a subsample of these objects (fuvAGB stars). AGB stars are comparatively cool objects (< or =3000 K), thus their fluxes falls off drastically for wavelengths 3000 Angstroms and shorter. Therefore, ultraviolet observations offer an important, new technique for detecting the binary companions and/or associated accretion activity. We develop new models of UV emission from fuvAGB stars constrained by GALEX photometry and spectroscopy of these objects. We compare the GALEX UV grism spectra of the AGB M7 star EY Hya to predictions using the spectral synthesis code Cloudy, specifically investigating the ultraviolet wavelength range (1344-2831 Angstroms). We investigate models composed of contributions from a photoionized "hot spot" due to accretion activity around the companion, and "chromospheric" emission from collisionally ionized plasma, to fit the UV observations.

New metallicity calibration for Seyfert 2 galaxies based on the N2O2 index

NASA Astrophysics Data System (ADS)

Castro, C. S.; Dors, O. L.; Cardaci, M. V.; Hägele, G. F.

2017-05-01

We derive a new relation between the metallicity of Seyfert 2 active galactic nuclei (AGNs) and the intensity of the narrow emission-lines ratio N2O2 = log([N II] λ6584/[O II] λ3727). The calibration of this relation was performed by determining the metallicity (Z) of a sample of 58 AGNs through a diagram containing the observational data and the results of a grid of photoionization models obtained with the cloudy code. We find the new Z/Z⊙-N2O2 relation using the obtained metallicity values and the corresponding observational emission-line intensities for each object of the sample. Estimations derived through the use of this new calibration indicate that the narrow-line regions of Seyfert 2 galaxies exhibit a large range of metallicities (0.3 ≲ Z/Z⊙ ≲ 2.0), with a median value Z ≈ Z⊙. Regarding the possible existence of correlations between the luminosity L(Hβ), the electron density and the colour excess E(B - V) with the metallicity in this kind of objects, we do not find correlations between them.

The Herschel Planetary Nebula Survey (HerPlaNS): A Comprehensive Dusty Photoionization Model of NGC6781.

PubMed

Otsuka, Masaaki; Ueta, Toshiya; van Hoof, Peter A M; Sahai, Raghvendra; Aleman, Isabel; Zijlstra, Albert A; Chu, You-Hua; Villaver, Eva; Leal-Ferreira, Marcelo L; Kastner, Joel; Szczerba, Ryszard; Exter, Katrina M

2017-08-01

We perform a comprehensive analysis of the planetary nebula (PN) NGC 6781 to investigate the physical conditions of each of its ionized, atomic, and molecular gas and dust components and the object's evolution, based on panchromatic observational data ranging from UV to radio. Empirical nebular elemental abundances, compared with theoretical predictions via nucleosynthesis models of asymptotic giant branch (AGB) stars, indicate that the progenitor is a solar-metallicity, 2.25-3.0 M ⊙ initial-mass star. We derive the best-fit distance of 0.46 kpc by fitting the stellar luminosity (as a function of the distance and effective temperature of the central star) with the adopted post-AGB evolutionary tracks. Our excitation energy diagram analysis indicates high-excitation temperatures in the photodissociation region (PDR) beyond the ionized part of the nebula, suggesting extra heating by shock interactions between the slow AGB wind and the fast PN wind. Through iterative fitting using the Cloudy code with empirically derived constraints, we find the best-fit dusty photoionization model of the object that would inclusively reproduce all of the adopted panchromatic observational data. The estimated total gas mass (0.41 M ⊙ ) corresponds to the mass ejected during the last AGB thermal pulse event predicted for a 2.5 M ⊙ initial-mass star. A significant fraction of the total mass (about 70%) is found to exist in the PDR, demonstrating the critical importance of the PDR in PNe that are generally recognized as the hallmark of ionized/H + regions.

Spitzer Space Telescope IRS Spectral Mapping of Photoionized Columns in M16 and the Carina HII Regions

NASA Astrophysics Data System (ADS)

Cotera, Angela; Simpson, J. P.; Sellgren, K.; Stolovy, S. R.

2013-01-01

Photoevaporated columns of dust and gas - also called elephant trunks, pillars or fingers - are found in the periphery of many H II regions. They have been observed within the Galaxy, the SMC and the LMC. These features are thought to be sites of current star formation, but the question remains whether the columns persist because stars formed in the denser regions prior to interactions with the UV radiation and stellar winds of nearby massive stars, or because of core collapse resulting from these interactions. We have obtained Spitzer IRS spectral maps of three columns within M 16 and three columns within the Carina nebula, to test our understanding of the impact on these transitory features of differing stellar populations and initial conditions. We use the wealth of molecular, atomic and PAH emission lines located within the spectral range of the high resolution IRS modes (9.9-37.2 micron) to determine the excitation state, dust and gas temperatures, and probe the shock characteristics within the columns as a function of location. Using the IRS spectral mapping mode, in conjunction with the CUBISM tool and the CLOUDY H II region model code, we have constructed detailed maps of the accessible emission lines and derived parameters for each column. Mapping the distribution of the physical states of the dust and gas in these columns is enhancing our understanding of the competing processes within these dynamic objects. The data presented here represent the only IRS spectral maps of photoionized pillars.

X-ray spectral signatures of photoionized plasmas. [astrophysics

NASA Technical Reports Server (NTRS)

Liedahl, Duane A.; Kahn, Steven M.; Osterheld, Albert L.; Goldstein, William H.

1990-01-01

Plasma emission codes have become a standard tool for the analysis of spectroscopic data from cosmic X-ray sources. However, the assumption of collisional equilibrium, typically invoked in these codes, renders them inapplicable to many important astrophysical situations, particularly those involving X-ray photoionized nebulae. This point is illustrated by comparing model spectra which have been calculated under conditions appropriate to both coronal plasmas and X-ray photoionized plasmas. It is shown that the (3s-2p)/(3d-2p) line ratios in the Fe L-shell spectrum can be used to effectively discriminate between these two cases. This diagnostic will be especially useful for data analysis associated with AXAF and XMM, which will carry spectroscopic instrumentation with sufficient sensitivity and resolution to identify X-ray photoionized nebulae in a wide range of astrophysical environments.

Application of the R-matrix method to photoionization of molecules.

PubMed

Tashiro, Motomichi

2010-04-07

The R-matrix method has been used for theoretical calculation of electron collision with atoms and molecules for long years. The method was also formulated to treat photoionization process, however, its application has been mostly limited to photoionization of atoms. In this work, we implement the R-matrix method to treat molecular photoionization problem based on the UK R-matrix codes. This method can be used for diatomic as well as polyatomic molecules, with multiconfigurational description for electronic states of both target neutral molecule and product molecular ion. Test calculations were performed for valence electron photoionization of nitrogen (N(2)) as well as nitric oxide (NO) molecules. Calculated photoionization cross sections and asymmetry parameters agree reasonably well with the available experimental results, suggesting usefulness of the method for molecular photoionization.

AG Dra -- a high density plasma laboratory

NASA Astrophysics Data System (ADS)

Young, Peter

2002-07-01

A STIS observation of the symbiotic star AG Draconis yielding spectra in the range 1150--10 000 Angstrom is requested. AG Dra is a non-eclipsing binary that shows strong, narrow nebular emission lines that originate in the wind of a K giant, photoionized by a hot white dwarf. The density of the nebula is around 10^10 electrons/cm^3 and is the perfect laboratory for testing the plasma modeling codes cloudy and xstar at high densities. These codes are used for a wide range of astrophysical objects including stellar winds, accretion disks, active galactic nuclei and Seyfert galaxies, and calibrating them against high signal-to-noise spectra from comparatively simple systems is essential. AG Dra is the perfect high density laboratory for this work. In addition, many previously undetected emission lines will be found through the high sensitivity of STIS, which will allow new plasma diagnostics to be tested. These twin objectives are particularly pertinent as the high sensitivity of emphHST/COS will will permit similar high resolution spectroscopy to be applied to a whole new regime of extragalactic objects. By combining far-UV data from Ause with complementary data from STIS, we will determine ratios of emission lines from the same ion, or ions of similar ionization level. These will permit a more complete set of diagnostics than are obtainable from one instrument alone.

Absolute Single Photoionization Cross Sections of Se^3+ For the Determination of Elemental Abundances in Planetary Nebulae

NASA Astrophysics Data System (ADS)

Esteves, David; Sterling, Nicholas; Aguilar, Alex; Kilcoyne, A. L. David; Phaneuf, Ronald; Bilodeau, Rene; Red, Eddie; McLaughlin, Brendan; Norrington, Patrick; Balance, Connor

2009-05-01

Numerical simulations show that derived elemental abundances in astrophysical nebulae can be uncertain by factors of two or more due to atomic data uncertainties alone, and of these uncertainties, absolute photoionization cross sections are the most important. Absolute single photoionization cross sections for Se^3+ ions have been measured from 42 eV to 56 eV at the ALS using the merged beams photo-ion technique. Theoretical photoionization cross section calculations were also performed for these ions using the state-of-the-art fully relativistic Dirac R-matrix code (DARC). The calculations show encouraging agreement with the experimental measurements.

Impact of sub-keV soft excess on warm absorbers

NASA Astrophysics Data System (ADS)

Chakravorty, S.

2009-09-01

Soft X-ray spectral features of warm absorbers (WA) are often found in Seyfert 1 galaxies. The ionizing continuum coming from the central engine and which photoionizes the WA, can be optimally modeled to have three spectral components a) the 'disk blackbody' at about 10 eV - the spectrum from the accretion disk of the black hole, b) the X-ray powerlaw - representing the dominant component at energies 1 keV and above and c) the soft excess in sub keV - which is seen in most objects after deducting the powerlaw component. We use the thermal equilibrium curves generated by the photoionization code CLOUDY to study the influence of the soft excess component on the nature of the WA. Our studies show that the nature of the WA is strongly dependent on the chemical composition of the absorbing gas, particularly on the abundance of iron, oxygen and the X-ray group (C, Ne, O, Fe) which have important atomic transitions in the energy range 0.3 - 1.5 keV where the soft excess component is supposed to have maximum effect. One of the popular models for the soft excess component is a blackbody with its temperature lying between 100 - 200 eV. We find that the soft excess component seems to decide the stability properties of the gas at 10^5 K; the range of xi/T over which stable warm absorber exists almost doubles if the soft excess luminosity is equal to the luminosity in the powerlaw (0.1 - 10 keV) which is a ratio not unheard of. Even if the soft excess is represented using alternative spectral shapes like the 'comptonized reflection' model, the stability properties of the WA do not change significantly.

CHEMICAL EVOLUTION OF THE UNIVERSE AT 0.7 < z < 1.6 DERIVED FROM ABUNDANCE DIAGNOSTICS OF THE BROAD-LINE REGION OF QUASARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sameshima, H.; Yoshii, Y.; Kawara, K., E-mail: sameshima@cc.kyoto-su.ac.jp

2017-01-10

We present an analysis of Mg ii λ 2798 and Fe ii UV emission lines for archival Sloan Digital Sky Survey (SDSS) quasars to explore the diagnostics of the magnesium-to-iron abundance ratio in a broad-line region cloud. Our sample consists of 17,432 quasars selected from the SDSS Data Release 7 with a redshift range of 0.72 <  z  < 1.63. A strong anticorrelation between the Mg ii equivalent width (EW) and the Eddington ratio is found, while only a weak positive correlation is found between the Fe ii EW and the Eddington ratio. To investigate the origin of these differing behaviors ofmore » Mg ii and Fe ii emission lines, we perform photoionization calculations using the Cloudy code, where constraints from recent reverberation mapping studies are considered. We find from calculations that (1) Mg ii and Fe ii emission lines are created at different regions in a photoionized cloud, and (2) their EW correlations with the Eddington ratio can be explained by just changing the cloud gas density. These results indicate that the Mg ii/Fe ii flux ratio, which has been used as a first-order proxy for the Mg/Fe abundance ratio in chemical evolution studies with quasar emission lines, depends largely on the cloud gas density. By correcting this density dependence, we propose new diagnostics of the Mg/Fe abundance ratio for a broad-line region cloud. In comparing the derived Mg/Fe abundance ratios with chemical evolution models, we suggest that α -enrichment by mass loss from metal-poor intermediate-mass stars occurred at z  ∼ 2 or earlier.« less

The 2017 Release Cloudy

NASA Astrophysics Data System (ADS)

Ferland, G. J.; Chatzikos, M.; Guzmán, F.; Lykins, M. L.; van Hoof, P. A. M.; Williams, R. J. R.; Abel, N. P.; Badnell, N. R.; Keenan, F. P.; Porter, R. L.; Stancil, P. C.

2017-10-01

We describe the 2017 release of the spectral synthesis code Cloudy, summarizing the many improvements to the scope and accuracy of the physics which have been made since the previous release. Exporting the atomic data into external data files has enabled many new large datasets to be incorporated into the code. The use of the complete datasets is not realistic for most calculations, so we describe the limited subset of data used by default, which predicts significantly more lines than the previous release of Cloudy. This version is nevertheless faster than the previous release, as a result of code optimizations. We give examples of the accuracy limits using small models, and the performance requirements of large complete models. We summarize several advances in the H- and He-like iso-electronic sequences and use our complete collisional-radiative models to establish the densities where the coronal and local thermodynamic equilibrium approximations work.

A Herschel study of NGC 650

NASA Astrophysics Data System (ADS)

van Hoof, P. A. M.; Van de Steene, G. C.; Exter, K. M.; Barlow, M. J.; Ueta, T.; Groenewegen, M. A. T.; Gear, W. K.; Gomez, H. L.; Hargrave, P. C.; Ivison, R. J.; Leeks, S. J.; Lim, T. L.; Olofsson, G.; Polehampton, E. T.; Swinyard, B. M.; Van Winckel, H.; Waelkens, C.; Wesson, R.

2013-12-01

As part of the Herschel guaranteed time key project Mass loss of Evolved StarS (MESS) we have imaged a sample of planetary nebulae. In this paper we present the Photodetector Array Camera and Spectrometer (PACS) and Spectral and Photometric Imaging Receiver (SPIRE) images of the classical bipolar planetary nebula NGC 650. We used these images to derive a temperature map of the dust. We also constructed a photoionization and dust radiative transfer model using the spectral synthesis code Cloudy. To constrain this model, we used the PACS and SPIRE fluxes and combined them with hitherto unpublished International Ultraviolet Explorer (IUE) and Spitzer InfraRed Spectrograph (IRS) spectra as well as various other data from the literature. A temperature map combined with a photoionization model were used to study various aspects of the central star, the nebula, and in particular the dust grains in the nebula. The central star parameters are determined to be Teff = 208 kK and L = 261 L⊙ assuming a distance of 1200 pc. The stellar temperature is much higher than previously published values. We confirm that the nebula is carbon-rich with a C/O ratio of 2.1. The nebular abundances are typical for a type IIa planetary nebula. With the photoionization model we determined that the grains in the ionized nebula are large (assuming single-sized grains, they would have a radius of 0.15 μm). Most likely these large grains were inherited from the asymptotic giant branch phase. The PACS 70/160 μm temperature map shows evidence of two radiation components heating the grains. The first component is direct emission from the central star, while the second component is diffuse emission from the ionized gas (mainly Lyα). We show that previous suggestions of a photo-dissociation region surrounding the ionized region are incorrect. The neutral material resides in dense clumps inside the ionized region. These may also harbor stochastically heated very small grains in addition to the large grains. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Tables 2-5 are available in electronic form at http://www.aanda.org

CNO Abundances in Metal-Rich Environments: Infrared Space Observatory Spectroscopy of Ionized Gas in M51

NASA Astrophysics Data System (ADS)

Garnett, Donald R.; Edmunds, Michael G.; Henry, Richard B. C.; Pagel, Bernard E. J.; Skillman, Evan D.

2004-12-01

We present Infrared Space Observatory (ISO) Long Wavelength Spectrograph observations centered on the H II region CCM 10 in the spiral galaxy M51. We detect several emission lines in this spectrum, including [O I] 63 and 145 μm, [C II] 158 μm, [O III] 88 μm, and [N II] 122 μm, with a significant upper limit on [N III] 57 μm. We use these measurements to estimate abundances for C, N, and O in the interstellar medium in M51. We compare our [O III] 88 μm flux with the flux for [O III] λ5007 obtained from narrowband imaging. The derived 5007Å/88μm ratio yields an electron temperature Te=5300+/-300 K. This temperature agrees with estimates of T[O III] based on photoionization models of CCM 10 with logO/H=-3.2, an abundance that is about a factor of 2 smaller than earlier results for this object derived from photoionization modeling of the visible spectrum. A possible cause for the discrepancy is that the older photoionization models based on CLOUDY predict significantly larger optical emission-line strengths than the current version of CLOUDY at the same metallicity; models with the more recent version are more consistent with the observed spectra of M51 H II region with reduced O/H. Assuming N/O=N+2/O+2, the upper limit for [NIII]/[OIII] yields logN/O<-0.5, which is consistent with the trend of N/O versus O/H seen in other spiral galaxies. C/O is estimated from the [CII]/[OI] ratio using photodissociation region models constrained by published CO line ratios, [CI]/CO, and [OI]63μm/145μm. With these various constraints on ne and G0, the observed [CII]/[OI] intensity ratio is in good agreeement with that predicted by photodissociation region models with approximately solar abundances. We infer from this that C/O in M51 is consistent with the solar neighborhood value.

Broad Halpha Wing Formation in the Planetary Nebula IC 4997.

PubMed

Lee; Hyung

2000-02-10

The young and compact planetary nebula IC 4997 is known to exhibit very broad wings with a width exceeding 5000 km s-1 around Halpha. We propose that the broad wings are formed through Rayleigh-Raman scattering that involves atomic hydrogen, by which Lybeta photons with a velocity width of a few 102 km s-1 are converted to optical photons and fill the Halpha broad wing region. The conversion efficiency reaches 0.6 near the line center, where the scattering optical depth is much larger than 1, and rapidly decreases in the far wings. Assuming that close to the central star there exists an unresolved inner compact core of high density, nH approximately 109-1010 cm-3, we use the photoionization code "CLOUDY" to show that sufficient Lybeta photons for scattering are produced. Using a top-hat-incident profile for the Lybeta flux and a scattering region with a H i column density NHi=2x1020 cm-2 and a substantial covering factor, we perform a profile-fitting analysis in order to obtain a satisfactory fit to the observed flux. We briefly discuss the astrophysical implications of the Rayleigh-Raman processes in planetary nebulae and other emission objects.

The 3-D ionization structure of the planetary nebula NGC 6565

NASA Astrophysics Data System (ADS)

Turatto, M.; Cappellaro, E.; Ragazzoni, R.; Benetti, S.; Sabbadin, F.

2002-03-01

A detailed study of the planetary nebula NGC 6565 has been carried out on long-slit echellograms (lambda /Delta lambda =60 000, spectral range = lambda lambda 3900-7750 Å) at six, equally spaced position angles. The expansion velocity field, the c(Hβ ) distribution and the radial profile of the physical conditions (electron temperature and density) are obtained. The distance, radius, mass and filling factor of the nebula and the temperature and luminosity of the central star are derived. The radial ionization structure is analyzed using both the classical method and the photo-ionization code CLOUDY. Moreover, we present the spatial structure in a series of images from different directions, allowing the reader to ``see'' the nebula in 3-D. NGC 6565 results to be a young (2000-2500 years), patchy, optically thick triaxial ellipsoid (a=10.1 arcsec, a/b=1.4, a/c=1.7) projected almost pole-on. The matter close to major axis was swept-up by some accelerating agent (fast wind? ionization? magnetic fields?), forming two faint and asymmetric polar cups. A large cocoon of almost neutral gas completely embeds the ionized nebula. NGC 6565 is in a recombination phase, because of the luminosity drop of the massive powering star, which is reaching the white dwarf domain (log T* =~ 5.08 K; log L*/Lsun =~ 2.0). The stellar decline started about 1000 years ago, but the main nebula remained optically thin for other 600 years before the recombination phase occurred. In the near future the ionization front will re-grow, since the dilution factor due to the expansion will prevail on the slower and slower stellar decline. NGC 6565 is at a distance of 2.0 (+/-0.5) kpc and can be divided into three radial zones: the ``fully ionized'' one, extending up to 0.029-0.035 pc at the equator (0.050 pc at the poles), the ``transition'' one, up to 0.048-0.054 pc (0.080 pc), the ``halo'', detectable up to 0.110 pc. The ionized mass ( =~ 0.03 Msun) is only a fraction of the total mass (>= 0.15 Msun), which has been ejected by an equatorial enhanced superwind of 4 (+/-2) x 10-5 Msun yr-1 lasted for 4 (+/-2) x 103 years. Based on observations made with ESO Telescopes at the La Silla Observatories, under programme ID 65.I-0524, and on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Institute (observing program GO 7501; P.I. Arsen Hajian). STScI is operated by the association of Universities for Research in Astronomy, Inc. under the NASA contract NAS 5-26555. We have applied the photoionization code CLOUDY, developed at the Institute of Astronomy of the Cambridge University.

A Comparison of Techniques for Determining Mass Outflow Rates in the Type 2 Quasar Markarian 34

NASA Astrophysics Data System (ADS)

Revalski, Mitchell; Crenshaw, D. Michael; Fischer, Travis C.; Kraemer, Steven B.; Schmitt, Henrique R.; Dashtamirova, Dzhuliya; Pope, Crystal L.

2018-06-01

We present spatially resolved measurements of the mass outflow rates and energetics for the Narrow Line Region (NLR) outflows in the type 2 quasar Markarian 34. Using data from the Hubble Space Telescope and Apache point observatory, together with Cloudy photoionization models, we calculate the radial mass distribution of ionized gas and map its kinematics. We compare the results of this technique to global outflow rates that characterize NLR outflows with a single outflow rate and energetic measurement. We find that NLR mass estimates based on emission line luminosities produce more consistent results than techniques employing filling factors.

Photoionization of Se+ and Se2+ Ions: Experiment and Theory

NASA Astrophysics Data System (ADS)

Esteves, D. A.; Sterling, N. C.; Alna'Washi, Ghassan; Aguilar, A.; Kilcoyne, A. L. D.; Balance, C. P.; Norrington, P. H.; McLaughlin, B. M.

2007-06-01

The determination of elemental abundances in astrophysical nebulae are highly dependent on the accuracy of the available atomic data. Numerical simulations show that derived Se abundances in ionized nebulae can be uncertain by factors of two or more from atomic data uncertainties alone. Of these uncertainties, photoionization cross section data are the most important, particularly in the near threshold region of the valence shell. Absolute photoionization cross sections for Se^+ and Se^2+ ions near their thresholds have been measured at the Advanced Light Source in Berkeley, using the merged beams photo-ion technique. Theoretical photoionization cross sections calculations were performed for both of these Se ions using the state-of-the-art fully relativistic Dirac R-matrix code (DARC). The calculations show encouraging agreement with the experimental measurements. A more comprehensive set of results will be presented at the meeting.

Central Star Properties and C-N-O Abundances in Eight Galactic Planetary Nebulae from New HST/STIS Observations

NASA Astrophysics Data System (ADS)

Henry, Richard B. C.; Balick, Bruce; Dufour, Reginald J.; Kwitter, Karen B.; Shaw, Richard A.; Corradi, Romano

2015-01-01

We present detailed photoionization models of eight Galactic planetary nebulae (IC2165, IC3568, NGC2440, NGC3242, NGC5315, NGC5882, NGC7662, & PB6) based on recently obtained HST STIS spectra. Our interim goal is to infer Teff, luminosity, and current and progenitor masses for each central star, while the ultimate goal is to constrain published stellar evolution models which predict nebular CNO abundances. The models were produced by using the code CLOUDY to match closely the measured line strengths derived from high-quality HST STIS spectra (see poster by Dufour et al., this session) extending in wavelength from 1150-10270 Angstroms. The models assumed a blackbody SED. Variable input parameters included Teff, a radially constant nebular density, a filling factor, and elemental abundances. For the eight PNs we found a birth mass range of 1.5-2.9 Msun, a range in log(L/Lsun) of 3.10-3.88, and a Teff range of 51-150k K. Finally, we compare CNO abundances of the eight successful models with PN abundances of these same elements that are predicted by published stellar evolution models. We gratefully acknowledge generous support from NASA through grants related to the Cycle 19 program GO12600.

Emission spectra of photoionized plasmas induced by intense EUV pulses: Experimental and theoretical investigations

NASA Astrophysics Data System (ADS)

Saber, Ismail; Bartnik, Andrzej; Skrzeczanowski, Wojciech; Wachulak, Przemysław; Jarocki, Roman; Fiedorowicz, Henryk

2017-03-01

Experimental measurements and numerical modeling of emission spectra in photoionized plasma in the ultraviolet and visible light (UV/Vis) range for noble gases have been investigated. The photoionized plasmas were created using laser-produced plasma (LPP) extreme ultraviolet (EUV) source. The source was based on a gas puff target; irradiated with 10ns/10J/10Hz Nd:YAG laser. The EUV radiation pulses were collected and focused using grazing incidence multifoil EUV collector. The laser pulses were focused on a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Irradiation of gases resulted in a formation of low temperature photoionized plasmas emitting radiation in the UV/Vis spectral range. Atomic photoionized plasmas produced this way consisted of atomic and ionic with various ionization states. The most dominated observed spectral lines originated from radiative transitions in singly charged ions. To assist in a theoretical interpretation of the measured spectra, an atomic code based on Cowan's programs and a collisional-radiative PrismSPECT code have been used to calculate the theoretical spectra. A comparison of the calculated spectral lines with experimentally obtained results is presented. Electron temperature in plasma is estimated using the Boltzmann plot method, by an assumption that a local thermodynamic equilibrium (LTE) condition in the plasma is validated in the first few ionization states. A brief discussion for the measured and computed spectra is given.

THE ABUNDANCES OF LIGHT NEUTRON-CAPTURE ELEMENTS IN PLANETARY NEBULAE. III. THE IMPACT OF NEW ATOMIC DATA ON NEBULAR SELENIUM AND KRYPTON ABUNDANCE DETERMINATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sterling, N. C.; Porter, R. L.; Dinerstein, Harriet L., E-mail: nsterlin@westga.edu, E-mail: ryanlporter@gmail.com, E-mail: harriet@astro.as.utexas.edu

The detection of neutron(n)-capture elements in several planetary nebulae (PNe) has provided a new means of investigating s-process nucleosynthesis in low-mass stars. However, a lack of atomic data has inhibited accurate trans-iron element abundance determinations in astrophysical nebulae. Recently, photoionization (PI) and recombination data were determined for Se and Kr, the two most widely detected n-capture elements in nebular spectra. We have incorporated these new data into the photoionization code Cloudy. To test the atomic data, numerical models were computed for 15 PNe that exhibit emission lines from multiple Kr ions. We found systematic discrepancies between the predicted and observedmore » emission lines that are most likely caused by inaccurate PI and recombination data. These discrepancies were removed by adjusting the Kr{sup +}–Kr{sup 3+} PI cross sections within their cited uncertainties and the dielectronic recombination rate coefficients by slightly larger amounts. From grids of models spanning the physical conditions encountered in PNe, we derive new, broadly applicable ionization correction factor (ICF) formulae for calculating Se and Kr elemental abundances. The ICFs were applied to our previous survey of near-infrared [Kr iii] and [Se iv] emission lines in 120 PNe. The revised Se and Kr abundances are 0.1–0.3 dex lower than former estimates, with average values of [Se/(O, Ar)] = 0.12 ± 0.27 and [Kr/(O, Ar)] = 0.82 ± 0.29, but correlations previously found between their abundances and other nebular and stellar properties are unaffected. We also find a tendency for high-velocity PNe that can be associated with the Galactic thick disk to exhibit larger s-process enrichments than low-velocity PNe belonging to the thin-disk population.« less

Anatomy of the AGN in NGC 5548. VI. Long-term variability of the warm absorber

NASA Astrophysics Data System (ADS)

Ebrero, J.; Kaastra, J. S.; Kriss, G. A.; Di Gesu, L.; Costantini, E.; Mehdipour, M.; Bianchi, S.; Cappi, M.; Boissay, R.; Branduardi-Raymont, G.; Petrucci, P.-O.; Ponti, G.; Pozo Núñez, F.; Seta, H.; Steenbrugge, K. C.; Whewell, M.

2016-03-01

Context. We observed the archetypal Seyfert 1 galaxy NGC 5548 in 2013-2014 in the context of an extensive multiwavelength campaign involving several satellites, which revealed the source to be in an extraordinary state of persistent heavy obscuration. Aims: We re-analyzed the archival grating spectra obtained by XMM-Newton and Chandra between 1999 and 2007 in order to characterize the classic warm absorber (WA) using consistent models and up-to-date photoionization codes and atomic physics databases and to construct a baseline model that can be used as a template for the physical state of the WA in the 2013 observations. Methods: We used the latest version of the photoionization code CLOUDY and the SPEX fitting package to model the X-ray grating spectra of the different archival observations of NGC 5548. Results: We find that the WA in NGC 5548 is composed of six distinct ionization phases outflowing in four kinematic regimes. The components seem to be in the form of a stratified wind with several layers intersected by our line of sight. Assuming that the changes in the WA are solely due to ionization or recombination processes in response to variations in the ionizing flux among the different observations, we are able to estimate lower limits on the density of the absorbing gas, finding that the farthest components are less dense and have a lower ionization. These limits are used to put stringent upper limits on the distance of the WA components from the central ionizing source, with the lowest ionization phases at several pc distances (<50, <20, and <5 pc, respectively), while the intermediately ionized components lie at pc-scale distances from the center (<3.6 and <2.2 pc, respectively). The highest ionization component is located at ~0.6 pc or closer to the AGN central engine. The mass outflow rate summed over all WA components is ~0.3 M⊙ yr-1, about six times the nominal accretion rate of the source. The total kinetic luminosity injected into the surrounding medium is a small fraction (~0.03%) of the bolometric luminosity of the source. After adding the contribution of the UV absorbers, this value augments to ~0.2% of the bolometric luminosity, well below the minimum amount of energy required by current feedback models to regulate galaxy evolution.

Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

DOE PAGES

Savukov, I. M.; Filin, D. V.

2014-12-29

Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreementmore » with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions.« less

A CLOUDY/XSPEC Interface

NASA Technical Reports Server (NTRS)

Porter, R. L.; Ferland, G. J.; Kraemer, S. B.; Armentrout, B. K.; Arnaud, K. A.; Turner, T. J.

2007-01-01

We discuss new functionality of the spectral simulation code CLOUDY which allows the user to calculate grids with one or more initial parameters varied and formats the predicted spectra in the standard FITS format. These files can then be imported into the x-ray spectral analysis software XSPEC and used as theoretical models for observations. We present and verify a test case. Finally, we consider a few observations and discuss our results.

Study of X-ray photoionized Fe plasma and comparisons with astrophysical modeling codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foord, M E; Heeter, R F; Chung, H

The charge state distributions of Fe, Na and F are determined in a photoionized laboratory plasma using high resolution x-ray spectroscopy. Independent measurements of the density and radiation flux indicate the ionization parameter {zeta} in the plasma reaches values {zeta} = 20-25 erg cm s{sup -1} under near steady-state conditions. A curve-of-growth analysis, which includes the effects of velocity gradients in a one-dimensional expanding plasma, fits the observed line opacities. Absorption lines are tabulated in the wavelength region 8-17 {angstrom}. Initial comparisons with a number of astrophysical x-ray photoionization models show reasonable agreement.

Absolute Photoionization Cross Section for Fe6+ to Fe10+ Ions in the Photon Energy Region of the 2p–3d Resonance Lines

NASA Astrophysics Data System (ADS)

Blancard, C.; Cubaynes, D.; Guilbaud, S.; Bizau, J.-M.

2018-01-01

Resonant single photoionization cross sections of Fen+ (n = 6 to 10) ions have been measured in absolute values using a merged-beams setup at the SOLEIL synchrotron radiation facility. Photon energies were between about 710 and 780 eV, covering the range of the 2p–3d transitions. The experimental cross sections are compared to calculations we performed using a multi-configuration Dirac–Fock code and the OPAS code dedicated to radiative opacity calculations. Comparisons are also done with the Chandra X-ray observatory NGC 3783 spectra and with the results of previously published calculations.

(Talk) Investigating The Star Formation Quenching Across Cosmic Time - A Methodology To Select Galaxies Just After The Quenching Of Star Formation

NASA Astrophysics Data System (ADS)

Citro, Annalisa; Pozzetti, Lucia; Quai, Salvatore; Moresco, Michele; Vallini, Livia; Cimatti, Andrea

2017-06-01

We propose a method aimed at identifing galaxies in the short evolutionary phase in which they quench their star-formation (SF). We rely on high- to low-ionization emission line ratios, which rapidly disappear after the SF halt due to the softening of the UV ionizing radiation. In particular, we focus on [O III] 5007/Halpha and [Ne III] 3869/[O II] 3727, simulating their time evolution by means of the CLOUDY photoionization code. We find that these two emission line ratios are able to trace the quenching on very short time-scales (i.e. 10-80 Myr), depending on if a sharp or a smoother SF quenching is assumed. We adopt the [N II] 6584/[O II] 3727 ratio as metallicity diagnostic to mitigate the metallicity degeneracy which affects our method. Using a Sloan Digital Sky Survey galaxy sample, we identify 11 examples of extreme quenching candidates within the [O III] 5007/Halpha vs. [N II] 6584/[O II] 3727 plane, characterized by faint [Ne III] 3869, blue dust-corrected spectra and blue (u-r) colours, as expected if the quenching occurred in the recent past. Our results also suggest that the observed fractions of quenching candidates can be used to constrain the quenching mechanism at work and its time-scales.

Observations Of Planetary Nebula NGC 3242 Using STIS From HST19 GO 12600

NASA Astrophysics Data System (ADS)

Miller, Timothy R.; Dufour, Reginald J.; Henry, Richard B. C.; Kwitter, Karen B.; Shaw, Richard A.; Balick, Bruce; Corradi, Romano

2014-06-01

During HST Cycle 19, we obtained long-slit spectra using STIS of the planetary nebula NGC 3242 with higher spatial resolution than previously published. The full wavelength range is around 1100-10200Å, covering many nebular lines for determining numerous ionic abundances and electron densities and temperatures. In this work, we first analyze the low- and moderate-resolution UV emission lines of carbon, nitrogen and oxygen. In particular, the resolved lines of C_III] 1907 and C_III] 1909 have yielded a direct measurement of one of the dominant ionic species for carbon and a determination of the density occupied by doubly-ionized carbon and other similar ions. Next, the spatial emission profile of these lines reveals variations in the inferred density along the line of sight from about 2800-11500 cm-3, compared with a value ~3800 cm-3, when averaged over the entire slit. Similarly, the electron temperature is around 12000K for the entire slit and ranges from about 11400-14000K when the slit is divided into smaller sub-regions. Lastly, these sub-regions of the nebula have been modeled in detail with the photoionization code CLOUDY. This modeling will assess the density profile that produces the observed density variation, reproduce the temperature fluctuations, and constrain the central star temperature. We acknowledge the gracious support from HST and the University of Oklahoma.

An X-Ray Analysis Database of Photoionization Cross Sections Including Variable Ionization

NASA Technical Reports Server (NTRS)

Wang, Ping; Cohen, David H.; MacFarlane, Joseph J.; Cassinelli, Joseph P.

1997-01-01

Results of research efforts in the following areas are discussed: review of the major theoretical and experimental data of subshell photoionization cross sections and ionization edges of atomic ions to assess the accuracy of the data, and to compile the most reliable of these data in our own database; detailed atomic physics calculations to complement the database for all ions of 17 cosmically abundant elements; reconciling the data from various sources and our own calculations; and fitting cross sections with functional approximations and incorporating these functions into a compact computer code.Also, efforts included adapting an ionization equilibrium code, tabulating results, and incorporating them into the overall program and testing the code (both ionization equilibrium and opacity codes) with existing observational data. The background and scientific applications of this work are discussed. Atomic physics cross section models and calculations are described. Calculation results are compared with available experimental data and other theoretical data. The functional approximations used for fitting cross sections are outlined and applications of the database are discussed.

A simple way to model nebulae with distributed ionizing stars

NASA Astrophysics Data System (ADS)

Jamet, L.; Morisset, C.

2008-04-01

Aims: This work is a follow-up of a recent article by Ercolano et al. that shows that, in some cases, the spatial dispersion of the ionizing stars in a given nebula may significantly affect its emission spectrum. The authors found that the dispersion of the ionizing stars is accompanied by a decrease in the ionization parameter, which at least partly explains the variations in the nebular spectrum. However, they did not research how other effects associated to the dispersion of the stars may contribute to those variations. Furthermore, they made use of a unique and simplified set of stellar populations. The scope of the present article is to assess whether the variation in the ionization parameter is the dominant effect in the dependence of the nebular spectrum on the distribution of its ionizing stars. We examined this possibility for various regimes of metallicity and age. We also investigated a way to model the distribution of the ionizing sources so as to bypass expensive calculations. Methods: We wrote a code able to generate random stellar populations and to compute the emission spectra of their associated nebulae through the widespread photoionization code cloudy. This code can process two kinds of spatial distributions of the stars: one where all the stars are concentrated at one point, and one where their separation is such that their Strömgren spheres do not overlap. Results: We found that, in most regimes of stellar population ages and gas metallicities, the dependence of the ionization parameter on the distribution of the stars is the dominant factor in the variation of the main nebular diagnostics with this distribution. We derived a method to mimic those effects with a single calculation that makes use of the common assumptions of a central source and a spherical nebula, in the case of constant density objects. This represents a computation time saving by a factor of at least several dozen in the case of H ii regions ionized by massive clusters.

CIFOG: Cosmological Ionization Fields frOm Galaxies

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-03-01

CIFOG is a versatile MPI-parallelised semi-numerical tool to perform simulations of the Epoch of Reionization. From a set of evolving cosmological gas density and ionizing emissivity fields, it computes the time and spatially dependent ionization of neutral hydrogen (HI), neutral (HeI) and singly ionized helium (HeII) in the intergalactic medium (IGM). The code accounts for HII, HeII, HeIII recombinations, and provides different descriptions for the photoionization rate that are used to calculate the residual HI fraction in ionized regions. This tool has been designed to be coupled to semi-analytic galaxy formation models or hydrodynamical simulations. The modular fashion of the code allows the user to easily introduce new descriptions for recombinations and the photoionization rate.

Laboratory Photoionization Fronts in Nitrogen Gas: A Numerical Feasibility and Parameter Study

NASA Astrophysics Data System (ADS)

Gray, William J.; Keiter, P. A.; Lefevre, H.; Patterson, C. R.; Davis, J. S.; van Der Holst, B.; Powell, K. G.; Drake, R. P.

2018-05-01

Photoionization fronts play a dominant role in many astrophysical situations but remain difficult to achieve in a laboratory experiment. We present the results from a computational parameter study evaluating the feasibility of the photoionization experiment presented in the design paper by Drake et al. in which a photoionization front is generated in a nitrogen medium. The nitrogen gas density and the Planckian radiation temperature of the X-ray source define each simulation. Simulations modeled experiments in which the X-ray flux is generated by a laser-heated gold foil, suitable for experiments using many kJ of laser energy, and experiments in which the flux is generated by a “z-pinch” device, which implodes a cylindrical shell of conducting wires. The models are run using CRASH, our block-adaptive-mesh code for multimaterial radiation hydrodynamics. The radiative transfer model uses multigroup, flux-limited diffusion with 30 radiation groups. In addition, electron heat conduction is modeled using a single-group, flux-limited diffusion. In the theory, a photoionization front can exist only when the ratios of the electron recombination rate to the photoionization rate and the electron-impact ionization rate to the recombination rate lie in certain ranges. These ratios are computed for several ionization states of nitrogen. Photoionization fronts are found to exist for laser-driven models with moderate nitrogen densities (∼1021 cm‑3) and radiation temperatures above 90 eV. For “z-pinch”-driven models, lower nitrogen densities are preferred (<1021 cm‑3). We conclude that the proposed experiments are likely to generate photoionization fronts.

Photoionization Models of Bromine, Rubidium, and Xenon in Planetary Nebulae

NASA Astrophysics Data System (ADS)

Sterling, Nicholas C.; Porter, Ryan; Spencer, Courteney; Sherrard, Cameroun G.

2017-06-01

We present numerical simulations of the Br, Rb, and Xe ionization balance in five planetary nebulae (PNe). These neutron-capture elements (atomic number Z > 30) can be enriched by s-process nucleosynthesis during the asymptotic giant branch (AGB) evolutionary stage of PN progenitor stars. Recent calculations of photoionization cross sections and rate coefficients for radiative recombination, dielectronic recombination, and charge transfer (Kerlin et al. 2017, in preparation; Sterling & Kerlin 2016, 227th AAS, #238.02; Sterling & Stancil 2011, A&A, 535, A117) allow the Br, Rb, and Xe ionization equilibria to be modeled in PNe for the first time. We have added these elements and their atomic data to Cloudy (Ferland et al. 2013, RMxA&A, 49, 137). We model the PNe IC 418, IC 2501, IC 4191, NGC 2440, and NGC 7027, all of which exhibit emission from multiple Xe ions in the optical data of Sharpee et al. (2007, ApJ, 659, 1265). Multiple Br and Rb ions were also detected in NGC 7027. The model central star temperatures and luminosities, and nebular densities, outer radii, and abundances were optimized to best reproduce the observed intensities of Sharpee et al. We find that IC 418 and NGC 7027 are enriched in Br, Rb, and Xe, in accordance with results for Se and Kr (Sterling et al. 2015, ApJS, 218, 25). Given the small sample size and the weakness of the lines involved, it is not clear whether discrepancies between modeled and observed intensities are due to observational, model, or atomic data uncertainties. This sample will be expanded to include other PNe, such as those in our optical survey (Sherrard et al. poster, this session), which will allow us to test the veracity of the new atomic data for Xe and, for a smaller number of PNe, Br and Rb. Following the methods of Sterling et al. (2015), grids of Cloudy models will be computed to derive ionization correction factors for Br, Rb, and Xe for the first time, allowing their abundances to be determined with higher accuracy than previously possible. We acknowledge support from NSF grant AST-1412928.

A Physically based Model of the Ionizing Radiation from Active Galaxies for Photoionization Modeling

NASA Astrophysics Data System (ADS)

Thomas, A. D.; Groves, B. A.; Sutherland, R. S.; Dopita, M. A.; Kewley, L. J.; Jin, C.

2016-12-01

We present a simplified model of active galactic nucleus (AGN) continuum emission designed for photoionization modeling. The new model oxaf reproduces the diversity of spectral shapes that arise in physically based models. We identify and explain degeneracies in the effects of AGN parameters on model spectral shapes, with a focus on the complete degeneracy between the black hole mass and AGN luminosity. Our reparametrized model oxaf removes these degeneracies and accepts three parameters that directly describe the output spectral shape: the energy of the peak of the accretion disk emission {E}{peak}, the photon power-law index of the non-thermal emission Γ, and the proportion of the total flux that is emitted in the non-thermal component {p}{NT}. The parameter {E}{peak} is presented as a function of the black hole mass, AGN luminosity, and “coronal radius” of the optxagnf model upon which oxaf is based. We show that the soft X-ray excess does not significantly affect photoionization modeling predictions of strong emission lines in Seyfert narrow-line regions. Despite its simplicity, oxaf accounts for opacity effects where the accretion disk is ionized because it inherits the “color correction” of optxagnf. We use a grid of mappings photoionization models with oxaf ionizing spectra to demonstrate how predicted emission-line ratios on standard optical diagnostic diagrams are sensitive to each of the three oxaf parameters. The oxaf code is publicly available in the Astrophysics Source Code Library.

Production of photoionized plasmas in the laboratory with x-ray line radiation

NASA Astrophysics Data System (ADS)

White, S.; Irwin, R.; Warwick, J. R.; Gribakin, G. F.; Sarri, G.; Keenan, F. P.; Riley, D.; Rose, S. J.; Hill, E. G.; Ferland, G. J.; Han, B.; Wang, F.; Zhao, G.

2018-06-01

In this paper we report the experimental implementation of a theoretically proposed technique for creating a photoionized plasma in the laboratory using x-ray line radiation. Using a Sn laser plasma to irradiate an Ar gas target, the photoionization parameter, ξ =4 π F /Ne , reached values of order 50 ergcm s-1 , where F is the radiation flux in ergc m-2s-1 . The significance of this is that this technique allows us to mimic effective spectral radiation temperatures in excess of 1 keV. We show that our plasma starts to be collisionally dominated before the peak of the x-ray drive. However, the technique is extendable to higher-energy laser systems to create plasmas with parameters relevant to benchmarking codes used to model astrophysical objects.

Studies in the parameterization of cloudiness in climate models and the analysis of radiation fields in general circulation models

NASA Technical Reports Server (NTRS)

HARSHVARDHAN

1990-01-01

Broad-band parameterizations for atmospheric radiative transfer were developed for clear and cloudy skies. These were in the shortwave and longwave regions of the spectrum. These models were compared with other models in an international effort called ICRCCM (Intercomparison of Radiation Codes for Climate Models). The radiation package developed was used for simulations of a General Circulation Model (GCM). A synopsis is provided of the research accomplishments in the two areas separately. Details are available in the published literature.

Determining Cloud Parameters with the Curve-Of-Growth: Application Eta Car

NASA Technical Reports Server (NTRS)

Vieira, G. L.; Gull, T. R.; Bruhweiler, F.; Nielsen, K. E.; Verner, E. M.

2004-01-01

We have investigated the NUV part of the Eta Car spectrum, using data with high spatial and high spectral resolving power obtained with the HST/STIS under the Treasury Program. The NUV spectrum of Eta Car Shows a great contribution of absorption features from neutral and singly ionized elements along the line-of-sight. A large number of velocity systems have been observed. The two most prominent, with Doppler shifts corresponding to -146 and -513 km/s respectively, are shown to be useful for investigations of the gaseous environments responsible for the absorption. The -146 and the -513 km/s velocity systems display different characteristics regarding the ionization state and spectral line width, which suggest that they originate at different distances from the central object. We have investigated the absorption structures before the spectroscopic minimum, occurring during the summer of 2003, with a standard curve-of-growth. We have independently derived the column density and the b-value for the Fe II (-146 km/s) and Ti II (-513 km/s) velocity systems. The excitation temperature has been determined for the -146 km/s velocity system using the photo-ionization code \\textsc(cloudy). The -146 km/s velocity structure shows noticeable variation over the spectroscopic minimum. The sudden appearance and disappearance of Ti II and V II are astonishing. We have made an attempt to analyze these variations with the curve-of-growth method and will present preliminary results.

SOAP and the Interstellar Froth

NASA Astrophysics Data System (ADS)

Tüllmann, R.; Rosa, M. R.; Dettmar, R.-J.

2005-06-01

We investigate whether the alleged failure of standard photoionization codes to match the Diffuse Ionized Gas (DIG) is simply caused by geometrical effects and the insufficient treatment of the radiative transfer. Standard photoionization models are applicable only to homogeneous and spherically symmetric nebulae with central ionizing stars, whereas the geometry of disk galaxies requires a 3D distribution of ionizing sources in the disk which illuminate the halo. This change in geometry together with a proper radiative transfer model is expected to substantially influence ionization conditions. Therefore, we developed a new and sophisticated 3D Monte Carlo photoionization code, called SOAP (Simulations Of Astrophysical Plasmas), by adapting an existing 1D code for HII-regions tep*{och} such, that it self-consistently models a 3D disk galaxy with a gaseous DIG halo. First results from a simple (dust-free) model with exponentially decreasing gas densities are presented and the predicted ionization structure of disk and halo are discussed. Theoretical line ratios agree well with observed ones, e.g,. for the halo of NGC 891. Moreover, the fraction of ionizing photons leaving the halo of the galaxy is plotted as a function of varying gas densities. This quantity will be of particular importance for forthcoming studies, because rough estimates indicate that about 7% of ionizing photons escape from the halo and contribute to the ionization of the IGM. Given the relatively large number density of normal spiral galaxies, OB-stars could have a much stronger impact on the ionization of the IGM than AGN or QSOs.

Atomic kinetics of a neon photoionized plasma experiment at Z

NASA Astrophysics Data System (ADS)

Mayes, Daniel C.; Mancini, Roberto; Bailey, James E.; Loisel, Guillaume; Rochau, Gregory; ZAPP Collaboration

2018-06-01

We discuss an experimental effort to study the atomic kinetics in astrophysically relevant photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at a variable distance from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 30 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma at the peak of the x-ray drive from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of time-integrated and/or time-gated configurations is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal densities and charge state distributions, which can be compared with simulation results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas.

PHOTOIONIZATION IN THE SOLAR WIND

DOE Office of Scientific and Technical Information (OSTI.GOV)

Landi, E.; Lepri, S. T., E-mail: elandi@umich.edu

2015-10-20

In this work we investigate the effects of photoionization on the charge state composition of the solar wind. Using measured solar EUV and X-ray irradiance, the Michigan Ionization Code and a model for the fast and slow solar wind, we calculate the evolution of the charge state distribution of He, C, N, O, Ne, Mg, Si, S, and Fe with and without including photoionization for both types of wind. We find that the solar radiation has significant effects on the charge state distribution of C, N, and O, causing the ionization levels of these elements to be higher than withoutmore » photoionization; differences are largest for oxygen. The ions commonly observed for elements heavier than O are much less affected, except in ICMEs where Fe ions more ionized than 16+ can also be affected by the solar radiation. We also show that the commonly used O{sup 7+}/O{sup 6+} density ratio is the most sensitive to photoionization; this sensitivity also causes the value of this ratio to depend on the phase of the solar cycle. We show that the O{sup 7+}/O{sup 6+} ratio needs to be used with caution for solar wind classification and coronal temperature estimates, and recommend the C{sup 6+}/C{sup 4+} ratio for these purposes.« less

Laboratory simulation of photoionized plasma among astronomical compact objects

NASA Astrophysics Data System (ADS)

Fujioka, Shinsuke; Yamamoto, Norimasa; Wang, Feilu; Salzmann, David; Li, Yutong; Rhee, Yong-Joo; Nishimura, Hiroaki; Takabe, Hideaki; Mima, Kunioki

2008-11-01

X-ray line emission with several-keV of photon energy was observed from photoionized accreting clouds, for example CYGNUS X-3 and VELA X-1, those are exposed by hard x-ray continuum from the compact objects, such as neutron stars, black holes, or white dwarfs, although accreting clouds are thermally cold. The x-ray continuum-induced line emission gives a good insight to the accreting clouds. We will present a novel laboratory simulation of the photoionized plasma under well-characterized conditions by using high-power laser facility. Blackbody radiator with 500-eV of temperature, as a miniature of a hot compact object, was created.Silicon (Si) plasma with 30-eV of electron temperature was produced in the vicinity of the 0.5-keV blackbody radiator. Line emissions of lithium- and helium-like Si ions was clearly observed around 2-keV of photon-energy from the thermally cold Si plasma, this result is hardly interpreted without consideration of the photoionization. Atomic kinetics code reveals importance of inner-shell ionization directly caused by incoming hard x-rays.

Dirac R-matrix calculations of photoionization cross sections of Ni XII and atomic structure data of Ni XIII

NASA Astrophysics Data System (ADS)

Nazir, R. T.; Bari, M. A.; Bilal, M.; Sardar, S.; Nasim, M. H.; Salahuddin, M.

2017-02-01

We performed R-matrix calculations for photoionization cross sections of the two ground state configuration 3s23p5 (^2P^o3/2,1/2) levels and 12 excited states of Ni XII using relativistic Dirac Atomic R-matrix Codes (DARC) across the photon energy range between the ionizations thresholds of the corresponding states and well above the thresholds of the last level of the Ni XIII target ion. Generally, a good agreement is obtained between our results and the earlier theoretical photoionization cross sections. Moreover, we have used two independent fully relativistic GRASP and FAC codes to calculate fine-structure energy levels, wavelengths, oscillator strengths, transitions rates among the lowest 48 levels belonging to the configuration (3s23p4, 3s3p5, 3p6, 3s23p33d) in Ni XIII. Additionally, radiative lifetimes of all the excited states of Ni XIII are presented. Our results of the atomic structure of Ni XIII show good agreement with other theoretical and experimental results available in the literature. A good agreement is found between our calculated lifetimes and the experimental ones. Our present results are useful for plasma diagnostic of fusion and astrophysical plasmas.

A virtual observatory for photoionized nebulae: the Mexican Million Models database (3MdB).

NASA Astrophysics Data System (ADS)

Morisset, C.; Delgado-Inglada, G.; Flores-Fajardo, N.

2015-04-01

Photoionization models obtained with numerical codes are widely used to study the physics of the interstellar medium (planetary nebulae, HII regions, etc). Grids of models are performed to understand the effects of the different parameters used to describe the regions on the observables (mainly emission line intensities). Most of the time, only a small part of the computed results of such grids are published, and they are sometimes hard to obtain in a user-friendly format. We present here the Mexican Million Models dataBase (3MdB), an effort to resolve both of these issues in the form of a database of photoionization models, easily accessible through the MySQL protocol, and containing a lot of useful outputs from the models, such as the intensities of 178 emission lines, the ionic fractions of all the ions, etc. Some examples of the use of the 3MdB are also presented.

Photoionization and High Density Gas

NASA Technical Reports Server (NTRS)

Kallman, T.; Bautista, M.; White, Nicholas E. (Technical Monitor)

2002-01-01

We present results of calculations using the XSTAR version 2 computer code. This code is loosely based on the XSTAR v.1 code which has been available for public use for some time. However it represents an improvement and update in several major respects, including atomic data, code structure, user interface, and improved physical description of ionization/excitation. In particular, it now is applicable to high density situations in which significant excited atomic level populations are likely to occur. We describe the computational techniques and assumptions, and present sample runs with particular emphasis on high density situations.

An atlas of synthetic line profiles of Planetary Nebulae

NASA Astrophysics Data System (ADS)

Morisset, C.; Stasinska, G.

2008-04-01

We have constructed a grid of photoionization models of spherical, elliptical and bipolar planetary nebulae. Assuming different velocity fields, we have computed line profiles corresponding to different orientations, slit sizes and positions. The atlas is meant both for didactic purposes and for the interpretation of data on real nebulae. As an application, we have shown that line profiles are often degenerate, and that recovering the geometry and velocity field from observations requires lines from ions with different masses and different ionization potentials. We have also shown that the empirical way to measure mass-weighted expansion velocities from observed line widths is reasonably accurate if considering the HWHM. For distant nebulae, entirely covered by the slit, the unknown geometry and orientation do not alter the measured velocities statistically. The atlas is freely accessible from internet. The Cloudy_3D suite and the associated VISNEB tool are available on request.

Cloudy 94 and Applications to Quasar Emission Line Regions

NASA Technical Reports Server (NTRS)

Ferland, Gary J.

2000-01-01

This review discusses the most recent developments of the plasma simulation code Cloudy and its application to the, emission-line regions of quasars. The longterm goal is to develop the tools needed to determine the chemical composition of the emitting gas and the luminosity of the central engine for any emission line source. Emission lines and the underlying thermal continuum are formed in plasmas that are far from thermodynamic equilibrium. Their thermal and ionization states are the result of a balance of a vast set of microphysical processes. Once produced, radiation must, propagate out of the (usually) optically thick source. No analytic solutions are possible, and recourse to numerical simulations is necessary. I am developing the large-scale plasma simulation code Cloudy as an investigative tool for this work, much as an observer might build a spectrometer. This review describes the current version of Cloudy, version 94. It describes improvements made since the, release of the previous version, C90. The major recent, application has been the development of the "Locally Optimally-Emitting Cloud" (LOC) model of AGN emission line regions. Powerful selection effects, introduced by the atomic physics and line formation process, permit individual lines to form most efficiently only near certain selected parameters. These selection effects, together with the presence of gas with a wide range of conditions, are enough to reproduce the spectrum of a typical quasar with little dependence on details. The spectrum actually carries little information to the identity of the emitters. I view this as a major step forward since it provides a method to handle accidental details at the source, so that we can concentrate on essential information such as the luminosity or chemical composition of the quasar.

Photoionization of S3+ using the Breit-Pauli R-matrix method

NASA Astrophysics Data System (ADS)

Stancalie, V.

2018-01-01

Sulphur is one of the most abundant chemical elements in the universe and a large number of lines have been observed in the spectra of astrophysical object. The S IV and SV ions considered in this work have received much interest in the last decade. The main objective of the present work is to report on photoionization cross-sections of S IV using the Breit-Pauli R-matrix (BPRM) method. We have carried out extensive non-relativistic and relativistic calculations of the photoionization cross sections to focus on relativistic effects. The reliability of the atomic data presented here has been carefully tested. We have exploited the BPRM code to describe the atomic wavefunctions and generate the energy levels for the SV 81 fine-structure bound target states and the corresponding A-values for transitions between these levels. The partial and total cross sections for the photoionization of the Al-like S3+ ground and excited states are determined for photon energy ranging from the S4+ 3s2 threshold up to the S4+ 4s threshold. We present statistically weighted, level resolved ground photoionization cross sections for the S IV ion. Both resonance positions and the oscillator strengths are presented. Extensive comparison of the present calculated values with those obtained from direct theoretical scattering calculation is also presented. To the best of our knowledge, the work reported herein describes for the first time a detailed relativistic photoionization calculation for this system, and the results are relevant to the laboratory and astrophysical plasmas.

Atomic kinetics of a neon photoionized plasma experiment at Z

NASA Astrophysics Data System (ADS)

Mayes, D. C.; Mancini, R. C.; Schoenfeld, R. P.; Bailey, J. E.; Loisel, G. P.; Rochau, G. A.; ZAPP Collaboration

2017-10-01

We discuss an experimental effort to study the atomic kinetics in neon photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at various distances from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 120 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of collecting both time-integrated and time-gated data is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal-densities and charge state distributions, which can be compared with results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas. This work was sponsored in part by DOE Office of Science Grant DE-SC0014451, and the Z Facility Fundamental Science Program of SNL.

Photometrically-derived properties of massive-star clusters obtained with different massive-star evolution tracks and deterministic models

NASA Astrophysics Data System (ADS)

Wofford, Aida; Charlot, Stéphane; Eldridge, John

2015-08-01

We compute libraries of stellar + nebular spectra of populations of coeval stars with ages of <100 Myr and metallicities of Z=0.001 to 0.040, using different sets of massive-star evolution tracks, i.e., new Padova tracks for single non-rotating stars, the Geneva tracks for single non-rotating and rotating stars, and the Auckland tracks for single non-rotating and binary stars. For the stellar component, we use population synthesis codes galaxev, starburst99, and BPASS, depending on the set of tracks. For the nebular component we use photoionization code cloudy. From these spectra, we obtain magnitudes in filters F275W, F336W, F438W, F547M, F555W, F657N, and F814W of the Hubble Space Telescope (HST) Wide Field Camera Three. We use i) our computed magnitudes, ii) new multi-band photometry of massive-star clusters in nearby (<11 Mpc) galaxies spanning the metallicity range 12+log(O/H)=7.2-9.2, observed as part of HST programs 13364 (PI Calzetti) and 13773 (PI Chandar), and iii) Bayesian inference to a) establish how well the different models are able to constrain the metallicities, extinctions, ages, and masses of the star clusters, b) quantify differences in the cluster properties obtained with the different models, and c) assess how properties of lower-mass clusters are affected by the stochastic sampling of the IMF. In our models, the stellar evolution tracks, stellar atmospheres, and nebulae have similar chemical compositions. Different metallicities are available with different sets of tracks and we compare results from models of similar metallicities. Our results have implications for studies of the formation and evolution of star clusters, the cluster age and mass functions, and the star formation histories of galaxies.

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

Dynamic Effects in the Photoionization of the 6s Subshell of Radon and Nobelium

NASA Astrophysics Data System (ADS)

Keating, David; Manson, Steven; Deshmukh, Pranawa

2017-04-01

Relativistic interactions are very important contributors to atomic properties. Of interest is the alterations made to the wave functions, i.e., the dynamics. These dynamical changes can greatly affect the photoionization cross section of heavy (high Z) atoms. To explore the extent of these dynamic effects a theoretical study of the 6s photoionization cross section of both radon (Z = 86) and nobelium (Z = 102) have been performed using the relativistic random phase approximation (RRPA) methodology. These two cases have been selected because they offer the clearest picture of the effects in question. In order to determine which features in the photoionization cross section are due to relativity, calculations using the (nonrelativistic) random phase approximation with exchange method (RPAE) are performed for comparison. Interchannel coupling can obscure the dynamic effects by ``pulling'' minima out of the discrete spectrum and into the continuum or by inducing minima. Therefore it is necessary to perform calculations without coupling included. This is possible thanks to the RRPA and RPAE codes being able to calculate cross sections with particular channels omitted. Comparisons are presented between calculations with and without interchannel coupling. Work supported by DOE and NSF.

Chasing the observational signatures of seed black holes at z > 7: candidate observability

NASA Astrophysics Data System (ADS)

Valiante, Rosa; Schneider, Raffaella; Zappacosta, Luca; Graziani, Luca; Pezzulli, Edwige; Volonteri, Marta

2018-05-01

Observing the light emitted by the first accreting black holes (BHs) would dramatically improve our understanding of the formation of quasars at z > 6, possibly unveiling the nature of their supermassive black hole (SMBH) seeds. In previous works, we explored the relative role of the two main competing BH seed formation channels, Population III remnants (low-mass seeds) and direct collapse BHs (high-mass seeds), investigating the properties of their host galaxies in a cosmological context. Building on this analysis, we predict here the spectral energy distribution and observational features of low- and high-mass BH seeds selected among the progenitors of a z ˜ 6 SMBH. We derive the processed emission from both accreting BHs and stars by using the photoionization code CLOUDY, accounting for the evolution of metallicity and dust-to-gas mass ratio in the interstellar medium of the host galaxies, as predicted by the cosmological data-constrained model GAMETE/QSODUST. We show how future missions like James Webb Space Telescope (JWST) and Advanced Telescope for High Energy Astrophysics (ATHENA) will be able to detect the light coming from SMBH progenitors already at z ˜ 16. We build upon previous complementary studies and propose a method based on the combined analysis of near-infrared colours, IR excess (IRX), and UV continuum slopes (i.e. colour-colour and IRX-β diagrams) to distinguish growing seed BH host galaxies from starburst-dominated systems in JWST surveys. Sources selected through this criterion would be the best target for follow-up X-ray observations.

The puzzling spectrum of HD 94509. Sounding out the extremes of Be shell star spectral morphology

NASA Astrophysics Data System (ADS)

Cowley, C. R.; Przybilla, N.; Hubrig, S.

2015-06-01

Context. The spectral features of HD 94509 are highly unusual, adding an extreme to the zoo of Be and shell stars. The shell dominates the spectrum, showing lines typical for spectral types mid-A to early-F, while the presence of a late/mid B-type central star is indicated by photospheric hydrogen line wings and helium lines. Numerous metallic absorption lines have broad wings but taper to narrow cores. They cannot be fit by Voigt profiles. Aims: We describe and illustrate unusual spectral features of this star, and make rough calculations to estimate physical conditions and abundances in the shell. Furthermore, the central star is characterized. Methods: We assume mean conditions for the shell. An electron density estimate is made from the Inglis-Teller formula. Excitation temperatures and column densities for Fe i and Fe ii are derived from curves of growth. The neutral H column density is estimated from high Paschen members. The column densities are compared with calculations made with the photoionization code Cloudy. Atmospheric parameters of the central star are constrained employing non-LTE spectrum synthesis. Results: Overall chemical abundances are close to solar. Column densities of the dominant ions of several elements, as well as excitation temperatures and the mean electron density are well accounted for by a simple model. Several features, including the degree of ionization, are less well described. Conclusions: HD 94509 is a Be star with a stable shell, close to the terminal-age main sequence. The dynamical state of the shell and the unusually shaped, but symmetric line profiles, require a separate study.

Analysis of Co-spatial UV-Optical STIS Spectra of Planetary Nebulae From HST Cycle 19 GO 12600

NASA Astrophysics Data System (ADS)

Miller, Timothy R.; Henry, Richard B. C.; Dufour, Reginald J.; Kwitter, Karen B.; Shaw, Richard A.; Balick, Bruce; Corradi, Romano

2015-01-01

We present an analysis of five spatially resolved planetary nebulae (PNe), NGC 5315, NGC 5882, NGC 7662, IC 2165, and IC 3568, from observations in the Cycle 19 program GO 12600 using HST STIS. Details of the observations and data are presented in the poster by Dufour et al. in this session. These five observations cover the wavelength range 1150-10,270 Å with 0.2 and 0.5 arcsec wide slits, and are co-spatial to 0.1 arcsec along a 25 arcsec length across each nebula. This unprecedented resolution in both wavelength and spatial coverage enabled detailed studies of physical conditions and abundances from UV line ion emissions (compared to optical lines). We first analyzed the low- and moderate-resolution UV emission lines of carbon using the resolved lines of C III] 1906.68 and 1908.73, which yielded a direct measurement of the density within the volume occupied by doubly-ionized carbon and other similar co-spatial ions. Next, each PN spectrum was divided into spatial sub-regions in order to assess inferred density variations among the sub-regions along the entire slit. Variations in electron temperature and chemical abundances were also probed. Lastly, these nebulae were modeled in detail with the photoionization code CLOUDY. This modeling tested different density profiles in order to reproduce the observed density variations and temperature fluctuations, and constrain central star parameters. We gratefully acknowledge generous support from NASA through grants related to the Cycle 19 program GO 12600, as well as from the University of Oklahoma.

Structure and Feedback in 30 Doradus. II. Structure and Chemical Abundances

NASA Astrophysics Data System (ADS)

Pellegrini, E. W.; Baldwin, J. A.; Ferland, G. J.

2011-09-01

We use our new optical-imaging and spectrophotometric survey of key diagnostic emission lines in 30 Doradus, together with CLOUDY photoionization models, to study the physical conditions and ionization mechanisms along over 4000 individual lines of sight at points spread across the face of the extended nebula, out to a projected radius 75 pc from R136 at the center of the ionizing cluster NGC 2070. We focus on the physical conditions, geometry, and importance of radiation pressure on a point-by-point basis, with the aim of setting observational constraints on important feedback processes. We find that the dynamics and large-scale structure of 30 Dor are set by a confined system of X-ray bubbles in rough pressure equilibrium with each other and with the confining molecular gas. Although the warm (10,000 K) gas is photoionized by the massive young stars in NGC 2070, the radiation pressure does not currently play a major role in shaping the overall structure. The completeness of our survey also allows us to create a composite spectrum of 30 Doradus, simulating the observable spectrum of a spatially unresolved, distant giant extragalactic H II region. We find that the highly simplified models used in the "strong line" abundance technique do in fact reproduce our observed line strengths and deduced chemical abundances, in spite of the more than one order of magnitude range in the ionization parameter and density of the actual gas in 30 Dor.

Photoionization of Co+ and electron-impact excitation of Co2 + using the Dirac R-matrix method

NASA Astrophysics Data System (ADS)

Tyndall, N. B.; Ramsbottom, C. A.; Ballance, C. P.; Hibbert, A.

2016-11-01

Modelling of massive stars and supernovae (SNe) plays a crucial role in understanding galaxies. From this modelling we can derive fundamental constraints on stellar evolution, mass-loss processes, mixing, and the products of nucleosynthesis. Proper account must be taken of all important processes that populate and depopulate the levels (collisional excitation, de-excitation, ionization, recombination, photoionization, bound-bound processes). For the analysis of Type Ia SNe and core collapse SNe (Types Ib, Ic and II) Fe group elements are particularly important. Unfortunately little data is currently available and most noticeably absent are the photoionization cross-sections for the Fe-peaks which have high abundances in SNe. Important interactions for both photoionization and electron-impact excitation are calculated using the relativistic Dirac atomic R-matrix codes (DARC) for low-ionization stages of Cobalt. All results are calculated up to photon energies of 45 eV and electron energies up to 20 eV. The wavefunction representation of Co III has been generated using GRASP0 by including the dominant 3d7, 3d6[4s, 4p], 3p43d9 and 3p63d9 configurations, resulting in 292 fine structure levels. Electron-impact collision strengths and Maxwellian averaged effective collision strengths across a wide range of astrophysically relevant temperatures are computed for Co III. In addition, statistically weighted level-resolved ground and metastable photoionization cross-sections are presented for Co II and compared directly with existing work.

Relativistic R-matrix calculations for photoionization cross-sections of C IV: implications for photorecombination of C V

NASA Astrophysics Data System (ADS)

Sardar, Shahid; Xu, Xin; Xu, Long-Quan; Zhu, Lin-Fan

2018-02-01

In this paper we present photoionization cross-sections of the ground and excited states of Li-like carbon (C IV) in the framework of fully relativistic R-matrix formalism as implemented in Dirac atomic R-matrix code. For target wavefunctions expansion, Multiconfiguration Dirac Hartree Fock calculations are performed for the lowest 17 target states of He-like carbon (C V) arising from 1s2 and 1snl, with n = 2, 3 and l = s, p, d configurations. Our target energy levels and transition parameters belonging to these levels are ascertained to be in excellent agreement with the experimental and the well-established theoretical results. We use the principle of detailed balance to get the photorecombination (PR) cross-sections of the ground state of C V. Both photoionization and PR cross-sections manifest important KLL and KLM resonance structures which are in very good agreement with the accurate measurements at Advanced Light Source (ion photon end beam station) and CRYRING (synchrotron storage ring).

Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.

An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs.

Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study.

PubMed

Matsuoka, Takahide; Takatsuka, Kazuo

2017-04-07

A theory for dynamics of molecular photoionization from nonadiabatic electron wavepackets driven by intense pulse lasers is proposed. Time evolution of photoelectron distribution is evaluated in terms of out-going electron flux (current of the probability density of electrons) that has kinetic energy high enough to recede from the molecular system. The relevant electron flux is in turn evaluated with the complex-valued electronic wavefunctions that are time evolved in nonadiabatic electron wavepacket dynamics in laser fields. To uniquely rebuild such wavefunctions with its electronic population being lost by ionization, we adopt the complex-valued natural orbitals emerging from the electron density as building blocks of the total wavefunction. The method has been implemented into a quantum chemistry code, which is based on configuration state mixing for polyatomic molecules. Some of the practical aspects needed for its application will be presented. As a first illustrative example, we show the results of hydrogen molecule and its isotope substitutes (HD and DD), which are photoionized by a two-cycle pulse laser. Photon emission spectrum associated with above threshold ionization is also shown. Another example is taken from photoionization dynamics from an excited state of a water molecule. Qualitatively significant effects of nonadiabatic interaction on the photoelectron spectrum are demonstrated.

FAC: Flexible Atomic Code

NASA Astrophysics Data System (ADS)

Gu, Ming Feng

2018-02-01

FAC calculates various atomic radiative and collisional processes, including radiative transition rates, collisional excitation and ionization by electron impact, energy levels, photoionization, and autoionization, and their inverse processes radiative recombination and dielectronic capture. The package also includes a collisional radiative model to construct synthetic spectra for plasmas under different physical conditions.

Physical properties of PNe: what IFU spectrographs can do?

NASA Astrophysics Data System (ADS)

Costa, R.; Lago, P. J. A.; Faes, D., M.

2014-04-01

Structure, kinematics and physical parameters of planetary nebulae are related to their progenitor stars. A better understanding of these properties is essential to improve the knowledge of the late stages of evolution of intermediate-mass stars, as well as to better understand the chemical enrichment mechanisms that feed the interstellar medium with the nucleosynthesis yields from such stars. Integral Field Unit (IFU) spectrographs can provide valuable information from these objects, mapping such properties point-to-point over the projected nebulae. In this communication we present the results of a survey of physical properties for southern PNe. We have used IFU spectroscopy in order to derive the angular distribution of electron densities and ionic abundances, and also to map the ionization profiles. The aim is to characterize their physical properties and structures, and results can be used in morpho-kinematical models (such as SHAPE) or in photoionization models (such as CLOUDY) to describe in detail the 3D structure and evolution of these objects.

Absorption features in the quasar HS 1603 + 3820 II. Distance to the absorber obtained from photoionisation modelling

NASA Astrophysics Data System (ADS)

Różańska, A.; Nikołajuk, M.; Czerny, B.; Dobrzycki, A.; Hryniewicz, K.; Bechtold, J.; Ebeling, H.

2014-04-01

We present the photoionisation modelling of the intrinsic absorber in the bright quasar HS 1603 + 3820. We constructed the broad-band spectral energy distribution using the optical/UV/X-ray observations from different instruments as inputs for the photoionisation calculations. The spectra from the Keck telescope show extremely high CIV to HI ratios, for the first absorber in system A, named A1. This value, together with high column density of CIV ion, place strong constraints on the photoionisation model. We used two photoionisation codes to derive the hydrogen number density at the cloud illuminated surface. By estimating bolometric luminosity of HS 1603 + 3820 using the typical formula for quasars, we calculated the distance to A1. We could find one photoionization solution, by assuming either a constant density cloud (which was modelled using CLOUDY), or a stratified cloud (which was modelled using TITAN), as well as the solar abundances. This model explained both the ionic column density of CIV and the high CIV to HI ratio. The location of A1 is 0.1 pc, and it is situated even closer to the nucleus than the possible location of the Broad Line Region in this object. The upper limit of the distance is sensitive to the adopted covering factor and the carbon abundance. Photoionisation modelling always prefers dense clouds with the number density n0 = 1010 - 1012 cm-3, which explains intrinsic absorption in HS 1603 + 3820. This number density is of the same order as that in the disk atmosphere at the implied distance of A1. Therefore, our results show that the disk wind that escapes from the outermost accretion disk atmosphere can build up dense absorber in quasars.

A methodology to select galaxies just after the quenching of star formation

NASA Astrophysics Data System (ADS)

Citro, Annalisa; Pozzetti, Lucia; Quai, Salvatore; Moresco, Michele; Vallini, Livia; Cimatti, Andrea

2017-08-01

We propose a new methodology aimed at finding star-forming galaxies in the phase which immediately follows the star-formation (SF) quenching, based on the use of high- to low-ionization emission line ratios. These ratios rapidly disappear after the SF halt, due to the softening of the UV ionizing radiation. We focus on [O III] λ5007/Hα and [Ne III] λ3869/[O II] λ3727, studying them with simulations obtained with the cloudy photoionization code. If a sharp quenching is assumed, we find that the two ratios are very sensitive tracers as they drop by a factor of ˜ 10 within ˜10 Myr from the interruption of the SF; instead, if a smoother and slower SF decline is assumed (I.e. an exponentially declining SF history with e-folding time τ = 200 Myr), they decrease by a factor of ˜2 within ˜80 Myr. We mitigate the ionization-metallicity degeneracy affecting our methodology using pairs of emission line ratios separately related to metallicity and ionization, adopting the [N II] λ6584/[O II] λ3727 ratio as metallicity diagnostic. Using a Sloan Digital Sky Survey galaxy sample, we identify 10 examples among the most extreme quenching candidates within the [O III] λ5007/Hα versus [N II] λ6584/[O II] λ3727 plane, characterized by low [O III] λ5007/Hα, faint [Ne III] λ3869, and by blue dust-corrected spectra and (u - r) colours, as expected if the SF quenching has occurred in the very recent past. Our results also suggest that the observed fractions of quenching candidates can be used to constrain the quenching mechanism at work and its time-scales.

Thermal Disk Winds in X-Ray Binaries: Realistic Heating and Cooling Rates Give Rise to Slow, but Massive, Outflows

NASA Astrophysics Data System (ADS)

Higginbottom, N.; Proga, D.; Knigge, C.; Long, K. S.

2017-02-01

A number of X-ray binaries exhibit clear evidence for the presence of disk winds in the high/soft state. A promising driving mechanism for these outflows is mass loss driven by the thermal expansion of X-ray heated material in the outer disk atmosphere. Higginbottom & Proga recently demonstrated that the properties of thermally driven winds depend critically on the shape of the thermal equilibrium curve, since this determines the thermal stability of the irradiated material. For a given spectral energy distribution, the thermal equilibrium curve depends on an exact balance between the various heating and cooling mechanisms at work. Most previous work on thermally driven disk winds relied on an analytical approximation to these rates. Here, we use the photoionization code cloudy to generate realistic heating and cooling rates which we then use in a 2.5D hydrodynamic model computed in ZEUS to simulate thermal winds in a typical black hole X-ray binary. We find that these heating and cooling rates produce a significantly more complex thermal equilibrium curve, with dramatically different stability properties. The resulting flow, calculated in the optically thin limit, is qualitatively different from flows calculated using approximate analytical rates. Specifically, our thermal disk wind is much denser and slower, with a mass-loss rate that is a factor of two higher and characteristic velocities that are a factor of three lower. The low velocity of the flow—{v}\\max ≃ 200 km s-1—may be difficult to reconcile with observations. However, the high mass-loss rate—15 × the accretion rate—is promising, since it has the potential to destabilize the disk. Thermally driven disk winds may therefore provide a mechanism for state changes.

The Properties and Fate of the Galactic Center G2 Cloud

NASA Astrophysics Data System (ADS)

Shcherbakov, Roman V.

2014-03-01

The object G2 was recently discovered descending into the gravitational potential of the supermassive black hole (BH) Sgr A*. We test the photoionized cloud scenario, determine the cloud properties, and estimate the emission during the pericenter passage. The incident radiation is computed starting from the individual stars at the locations of G2. The radiative transfer calculations are conducted with CLOUDY code and 2011 broadband and line luminosities are fitted. The spherically symmetric, tidally distorted, and magnetically arrested cloud shapes are tested with both the interstellar medium dust and 10 nm graphite dust. The best-fitting magnetically arrested model has the initial density n init = 1.8 × 105 cm-3, initial radius R init = 2.2 × 1015 cm = 17 mas, mass m cloud = 4 M Earth, and dust relative abundance A = 0.072. It provides a good fit to 2011 data, is consistent with the luminosities in 2004 and 2008, and reaches an agreement with the observed size. We revise down the predicted radio and X-ray bow shock luminosities to be below the quiescent level of Sgr A*, which readily leads to non-detection in agreement to observations. The magnetic energy dissipation in the cloud at the pericenter coupled with more powerful irradiation may lead to an infrared source with an apparent magnitude m_{L^{\\prime }}\\approx 13.0. No shock into the cloud and no X-rays are expected from cloud squeezing by the ambient gas pressure. Larger than previously estimated cloud mass m cloud = (4-20) M Earth may produce a higher accretion rate and a brighter state of Sgr A* as the debris descend onto the BH.

Analysis of Co-spatial UV-Optical STIS Spectra of Seven Planetary Nebulae From HST Cycle 19 GO 12600

NASA Astrophysics Data System (ADS)

Miller, Timothy R.; Henry, Richard B. C.; Dufour, Reginald J.; Kwitter, Karen B.; Shaw, Richard A.; Balick, Bruce; Corradi, Romano

2016-01-01

We present an analysis of seven spatially resolved planetary nebulae (PNe), NGC 2440, NGC 3242, NGC 5315, NGC 5882, NGC 7662, IC 2165, and IC 3568, from observations in the Cycle 19 program GO 12600 using HST STIS. These seven observations cover the wavelength range 1150-10,270 Å with 0.2 and 0.5 arcsec wide slits, and are co-spatial to within 0.1 arcsec along a 25 arcsec length across each nebula. The wavelength and spatial coverage enabled a detailed study of physical conditions and abundances from UV and optical line emissions (compared to only optical lines) for these seven PNe. The first UV lines of interest are those of carbon. The resolved lines of C III] 1906.68 and 1908.73 yielded a direct measurement of the density within the volume occupied by doubly-ionized carbon and other similar co-spatial ions as well as contributed to an accurate measurement of the carbon abundance. Each PN spectrum was divided into smaller spatial regions or segments in order to assess inferred density variations among the regions along the entire slit. There is a clear difference in the inferred density for several regions of each PNe. Variations in electron temperature and chemical abundances were also probed and shown to be completely homogeneous within the errors. Lastly, these nebulae were modeled in detail with the photoionization code CLOUDY. This modeling constrained the central star parameters of temperature and luminosity and tested the effects different density profiles have on these parameters. We gratefully acknowledge generous support from NASA through grants related to the Cycle 19 program GO 12600, as well as from the University of Oklahoma.

Modeling the heating and atomic kinetics of a photoionized neon plasma experiment

NASA Astrophysics Data System (ADS)

Lockard, Tom E.

Motivated by gas cell photoionized plasma experiments performed by our group at the Z facility of Sandia National Laboratories, we discuss in this dissertation a modeling study of the heating and ionization of the plasma for conditions characteristic of these experiments. Photoionized plasmas are non-equilibrium systems driven by a broadband x-ray radiation flux. They are commonly found in astrophysics but rarely seen in the laboratory. Several modeling tools have been employed: (1) a view-factor computer code constrained with side x-ray power and gated monochromatic image measurements of the z-pinch radiation, to model the time-history of the photon-energy resolved x-ray flux driving the photoionized plasma, (2) a Boltzmann self-consistent electron and atomic kinetics model to simulate the electron distribution function and configuration-averaged atomic kinetics, (3) a radiation-hydrodynamics code with inline non-equilibrium atomic kinetics to perform a comprehensive numerical simulation of the experiment and plasma heating, and (4) steady-state and time-dependent collisional-radiative atomic kinetics calculations with fine-structure energy level description to assess transient effects in the ionization and charge state distribution of the plasma. The results indicate that the photon-energy resolved x-ray flux impinging on the front window of the gas cell is very well approximated by a linear combination of three geometrically-diluted Planckian distributions. Knowledge of the spectral details of the x-ray drive turned out to be important for the heating and ionization of the plasma. The free electrons in the plasma thermalize quickly relative to the timescales associated with the time-history of the x-ray drive and the plasma atomic kinetics. Hence, electrons are well described by a Maxwellian energy distribution of a single temperature. This finding is important to support the application of a radiation-hydrodynamic model to simulate the experiment. It is found that the computed plasma heating compares well with experimental observation when the effects of the windows, hydrodynamics, and non-equilbirium neon emissivity and opacity are employed. The atomic kinetics shows significant time-dependent effects because the timescale of the x-ray drive is too short compared to that of the photoionization process. These modeling and simulation results are important to test theory and modeling assumptions and approximations, and also to provide guidance on data interpretation and analysis.

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

NASA Technical Reports Server (NTRS)

Sterling, N. C.; Witthoeft, Michael

2011-01-01

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.

Simulating the escaping atmospheres of hot gas planets in the solar neighborhood

NASA Astrophysics Data System (ADS)

Salz, M.; Czesla, S.; Schneider, P. C.; Schmitt, J. H. M. M.

2016-02-01

Absorption of high-energy radiation in planetary thermospheres is generally believed to lead to the formation of planetary winds. The resulting mass-loss rates can affect the evolution, particularly of small gas planets. We present 1D, spherically symmetric hydrodynamic simulations of the escaping atmospheres of 18 hot gas planets in the solar neighborhood. Our sample only includes strongly irradiated planets, whose expanded atmospheres may be detectable via transit spectroscopy using current instrumentation. The simulations were performed with the PLUTO-CLOUDY interface, which couples a detailed photoionization and plasma simulation code with a general MHD code. We study the thermospheric escape and derive improved estimates for the planetary mass-loss rates. Our simulations reproduce the temperature-pressure profile measured via sodium D absorption in HD 189733 b, but show still unexplained differences in the case of HD 209458 b. In contrast to general assumptions, we find that the gravitationally more tightly bound thermospheres of massive and compact planets, such as HAT-P-2 b are hydrodynamically stable. Compact planets dispose of the radiative energy input through hydrogen Lyα and free-free emission. Radiative cooling is also important in HD 189733 b, but it decreases toward smaller planets like GJ 436 b. Computing the planetary Lyα absorption and emission signals from the simulations, we find that the strong and cool winds of smaller planets mainly cause strong Lyα absorption but little emission. Compact and massive planets with hot, stable thermospheres cause small absorption signals but are strong Lyα emitters, possibly detectable with the current instrumentation. The absorption and emission signals provide a possible distinction between these two classes of thermospheres in hot gas planets. According to our results, WASP-80 and GJ 3470 are currently the most promising targets for observational follow-up aimed at detecting atmospheric Lyα absorption signals. Simulated atmospheres are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/586/A75

The 3-D ionization structure of NGC 6818: A Planetary Nebula threatened by recombination

NASA Astrophysics Data System (ADS)

Benetti, S.; Cappellaro, E.; Ragazzoni, R.; Sabbadin, F.; Turatto, M.

2003-03-01

Long-slit NTT+EMMI echellograms of NGC 6818 (the Little Gem) at nine equally spaced position angles, reduced according to the 3-D methodology introduced by Sabbadin et al. (\\cite{Sabbadin00}a,b), allowed us to derive: the expansion law, the diagnostics and ionic radial profiles, the distance and the central star parameters, the nebular photo-ionization model, the 3-D reconstruction in He II, [O III] and [N II], the multicolor projection and a series of movies. The Little Gem results to be a young (3500 years), optically thin (quasi-thin in some directions) double shell (Mion =~ 0.13 Msun) at a distance of 1.7 kpc, seen almost equatorial on: a tenuous and patchy spherical envelope (r =~ 0.090 pc) encircles a dense and inhomogeneous tri-axial ellipsoid (a/2 =~ 0.077 pc, a/b =~ 1.25, b/c =~ 1.15) characterized by a hole along the major axis and a pair of equatorial, thick moustaches. NGC 6818 is at the start of the recombination phase following the luminosity decline of the 0.625 Msun central star, which has recently exhausted the hydrogen shell nuclear burning and is rapidly moving toward the white dwarf domain (log T* =~ 5.22 K; log L*/Lsun =~ 3.1). The nebula is destined to become thicker and thicker, with an increasing fraction of neutral, dusty gas in the outermost layers. Only over some hundreds of years the plasma rarefaction due to the expansion will prevail against the slower and slower stellar decline, leading to a gradual re-growing of the ionization front. The exciting star of NGC 6818 (mV =~ 17.06) is a visual binary: a faint, red companion (mV =~ 17.73) appears at 0.09 arcsec in PA =190degr , corresponding to a separation ge 150 AU and to an orbital period ge 1500 years. Based on observations made with ESO Telescopes at the La Silla Observatories, under programme ID 65.I-0524, and on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Institute (observing programs GO 7501 and GO 8773; P.I. Arsen Hajian). STScI is operated by the association of Universities for Research in Astronomy, Inc. under the NASA contract NAS 5-26555. We have applied the photo-ionization code CLOUDY, developed at the Institute of Astronomy of the Cambridge University.

MPI_XSTAR: MPI-based Parallelization of the XSTAR Photoionization Program

NASA Astrophysics Data System (ADS)

Danehkar, Ashkbiz; Nowak, Michael A.; Lee, Julia C.; Smith, Randall K.

2018-02-01

We describe a program for the parallel implementation of multiple runs of XSTAR, a photoionization code that is used to predict the physical properties of an ionized gas from its emission and/or absorption lines. The parallelization program, called MPI_XSTAR, has been developed and implemented in the C++ language by using the Message Passing Interface (MPI) protocol, a conventional standard of parallel computing. We have benchmarked parallel multiprocessing executions of XSTAR, using MPI_XSTAR, against a serial execution of XSTAR, in terms of the parallelization speedup and the computing resource efficiency. Our experience indicates that the parallel execution runs significantly faster than the serial execution, however, the efficiency in terms of the computing resource usage decreases with increasing the number of processors used in the parallel computing.

TORUS: Radiation transport and hydrodynamics code

NASA Astrophysics Data System (ADS)

Harries, Tim

2014-04-01

TORUS is a flexible radiation transfer and radiation-hydrodynamics code. The code has a basic infrastructure that includes the AMR mesh scheme that is used by several physics modules including atomic line transfer in a moving medium, molecular line transfer, photoionization, radiation hydrodynamics and radiative equilibrium. TORUS is useful for a variety of problems, including magnetospheric accretion onto T Tauri stars, spiral nebulae around Wolf-Rayet stars, discs around Herbig AeBe stars, structured winds of O supergiants and Raman-scattered line formation in symbiotic binaries, and dust emission and molecular line formation in star forming clusters. The code is written in Fortran 2003 and is compiled using a standard Gnu makefile. The code is parallelized using both MPI and OMP, and can use these parallel sections either separately or in a hybrid mode.

Constraining the Accretion Mode in LINER 1.9s

NASA Astrophysics Data System (ADS)

Sabra, Bassem; Der Sahaguian, Elias; Badr, Elie

2016-01-01

The accretion mode and the dominant power source in low-ionization nuclear emission-line regions (LINERs), a class of active galactic nuclei (AGN), are still elusive. We focus on a sample of 22 LINER 1.9s (Ho et al. 1997), a subclass of LINERs that show broad Halpha lines, a signature of blackhole-powered accretion, to test the hypothesis that the ionizing continuum emitted by a radiatively inefficient accretion flow (RIAF) could lead to the LINER ultraviolet (UV) emission-line ratios. Optical line-ratio diagrams are a weak diagnostic tool in distinguishing between possible power sources (Sabra et al. 2003). We search the Mikulski Archive for Space Telescopes (MAST) for UV spectra of the objects in the above sample and also perform photoionization simulations using CLOUDY (Ferland et al. 2013). Unfortunately, only one object (NGC 1052; Gabel et al. 2000) of the 22 LINER 1.9s has UV spectra that cover many emission lines; the rest of the objects either do not have any UV spectra, the spectral coverage is in-adequate, or the spectra have very low signal-to-noise ratios. Our photoionization simulations set up two identical grids of clouds with a range of densities and ionization parameters. We illuminate one grid with radiation emitted by a thin accretion disk (AD) and we illuminate the other grid with radiation from a RIAF. We overplot the UV emission-line ratio predictions for AD and RIAF illumination, together with the available line ratios for NGC 1052. Initial results show that UV lines could be used as diagnostics for the accretion mode in AGN. More UV spectral coverage of LINER 1.9s is needed in order to more fully utilize the diagnostic powers of UV emission line ratios.

grid-model: Semi-numerical reionization code

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-05-01

grid-model computes the time and spatially dependent ionization of neutral hydrogen (HI), neutral (HeI) and singly ionized helium (HeII) in the intergalactic medium (IGM). It accounts for recombinations and provides different descriptions for the photoionization rate that are used to calculate the residual HI fraction in ionized regions. The ionizing emissivity is directly derived from the RT simulation spectra.

Kinetic Modeling of Ultraintense X-Ray Laser-Matter Interactions

NASA Astrophysics Data System (ADS)

Royle, Ryan; Sentoku, Yasuhiko; Mancini, Roberto; Johzaki, Tomoyuki

2015-11-01

High-intensity XFELs have become a novel way of creating and studying hot dense plasmas. The LCLS at Stanford can deliver a millijoule of energy with more than 1012 photons in a ~ 100 femtosecond pulse. By tightly focusing the beam to a micron-scale spot size, the XFEL can be intensified to more than 1018 W/cm2, making it possible to heat solid matter isochorically beyond a million degrees (>100 eV). Such extreme states of matter are of considerable interest due to their relevance to astrophysical plasmas. Additionally, they will allow novel ways of studying equation-of-state and opacity physics under Gbar pressure and strong fields. Photoionization is the dominant x-ray absorption mechanism and triggers the heating processes. A photoionization model that takes into account the subshell cross-sections has been developed in a kinetic plasma simulation code, PICLS, that solves the x-ray transport self-consistently. The XFEL-matter interaction with several elements, including solid carbon, aluminum, and iron, is studied with the code, and the results are compared with recent LCLS experiments. This work was supported by the DOE/OFES under Contract No. DE-SC0008827.

FSFE: Fake Spectra Flux Extractor

NASA Astrophysics Data System (ADS)

Bird, Simeon

2017-10-01

The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

Anomalous Abundances in Gaseous Nebulae From Recombination and Collisional Lines: Improved Photoionization and Recombination Studies

NASA Astrophysics Data System (ADS)

Pradhan, Anil Kumar; Nahar, S. N.; Eissner, W. B.; Montenegro, M.

2011-01-01

A perplexing anomaly arises in the determination of abundances of common elements in gaseous nebulae, as derived from collisionally excited lines (CEL) as opposed to those from Recombination Lines (RCL). The "abundance discrepancy factors" can range from a factor of 2 to an order of magnitude or more. That has led to quite different interpretation of the physical structure and processes in gaseous nebulae, such as temperature fluctuations across the object, or metal-rich concentrations leading to a dual-abundnace scenario. We show that the problem may lie in inaccuracies in photoionization and recombination models neglecting low-energy resonance phenomena due to fine structure. Whereas the atomic physics of electron impact excitation of forbidden lines is well understood, and accurate collision strengths have long been available, that is not generally the case for electron-ion recombination cross sections. A major problem is the inclusion of relativisitic effects as it pertains to the existence of very low-energy fine structure resonances in photoionization cross sections. We carry out new relativistic calculations for photoionization and recombination cross sections using a recently extended version of the Breit-Pauli R-matrix codes, and the unified electron-ion recombination method that subsumes both the radiative and the dielectronic recombination (RR and DR) processes in an ab initio and self-consistent manner. We find that near-thresold resonances manifest themselves within fine structure levels of the ground state of ions, enhancing low-temperature recombination rate coefficients at 1000-10,000 K. The resulting enahncement in level-specific and total recombination rate coefficients should therefore lead to reduced abundances derived from RCL, and in accordance with those from CEL. We present results for photoionization of O II into, and recombination from, O III. Theoretical cross sections are benchmarked against high-resolution measurements from synchrotron based light sources. Work on other atomic species is in progress.

Integrated Efforts for Analysis of Geophysical Measurements and Models.

DTIC Science & Technology

1997-09-26

12b. DISTRIBUTION CODE 13. ABSTRACT ( Maximum 200 words) This contract supported investigations of integrated applications of physics, ephemerides...REGIONS AND GPS DATA VALIDATIONS 20 2.5 PL-SCINDA: VISUALIZATION AND ANALYSIS TECHNIQUES 22 2.5.1 View Controls 23 2.5.2 Map Selection...and IR data, about cloudy pixels. Clustering and maximum likelihood classification algorithms categorize up to four cloud layers into stratiform or

Light element opacities of astrophysical interest from ATOMIC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Kilcrease, D. P.; Magee, N. H. Jr.

We present new calculations of local-thermodynamic-equilibrium (LTE) light element opacities from the Los Alamos ATOMIC code for systems of astrophysical interest. ATOMIC is a multi-purpose code that can generate LTE or non-LTE quantities of interest at various levels of approximation. Our calculations, which include fine-structure detail, represent a systematic improvement over previous Los Alamos opacity calculations using the LEDCOP legacy code. The ATOMIC code uses ab-initio atomic structure data computed from the CATS code, which is based on Cowan's atomic structure codes, and photoionization cross section data computed from the Los Alamos ionization code GIPPER. ATOMIC also incorporates a newmore » equation-of-state (EOS) model based on the chemical picture. ATOMIC incorporates some physics packages from LEDCOP and also includes additional physical processes, such as improved free-free cross sections and additional scattering mechanisms. Our new calculations are made for elements of astrophysical interest and for a wide range of temperatures and densities.« less

Anomalous photo-ionization of 4d shell in medium-Z ionized atoms

NASA Astrophysics Data System (ADS)

Klapisch, M.; Busquet, M.

2013-09-01

Photoionization (PI) cross sections (PICS) are necessary for the simulation of astrophysical and ICF plasmas. In order to be used in plasma modeling, the PICS are usually fit to simple analytical formulas. We observed an unusual spectral shape of the PICS of the 4d shell of ionized Xe and other elements, computed with different codes: a local minimum occurs around twice the threshold energy. We explain this phenomenon as interference between the bound 4d wavefunction and the free electron wavefunction, which is similar to the Cooper minima for neutral atoms. Consequently, the usual fitting formulas, which consist of a combination of inverse powers of the frequency beyond threshold, may yield rates for PI and radiative recombination (RR) that are incorrect by orders of magnitude. A new fitting algorithm is proposed and is included in the latest version of HULLAC.v9.5.

Valence and L-shell photoionization of Cl-like argon using R-matrix techniques

NASA Astrophysics Data System (ADS)

Tyndall, N. B.; Ramsbottom, C. A.; Ballance, C. P.; Hibbert, A.

2016-02-01

Photoionization cross-sections are obtained using the relativistic Dirac Atomic R-matrix Codes (DARC) for all valence and L-shell energy ranges between 27 and 270 eV. A total of 557 levels arising from the dominant configurations 3s23p4, 3s3p5, 3p6, 3s23p3[3d, 4s, 4p], 3p53d, 3s23p23d2, 3s3p43d, 3s3p33d2 and 2s22p53s23p5 have been included in the target wavefunction representation of the Ar III ion, including up to 4p in the orbital basis. We also performed a smaller Breit-Pauli (BP) calculation containing the lowest 124 levels. Direct comparisons are made with previous theoretical and experimental work for both valence shell and L-shell photoionization. Excellent agreement was found for transitions involving the 2Po initial state to all allowed final states for both calculations across a range of photon energies. A number of resonant states have been identified to help analyse and explain the nature of the spectra at photon energies between 250 and 270 eV.

CMacIonize: Monte Carlo photoionisation and moving-mesh radiation hydrodynamics

NASA Astrophysics Data System (ADS)

Vandenbroucke, Bert; Wood, Kenneth

2018-02-01

CMacIonize simulates the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given time, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code and also as a moving-mesh code.

Meeting the Challenge of Webb - Spectroscopic Simulations of Star-Forming Regions and Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Ferland, Gary

Understanding the chemical evolution of the universe, together with closely related questions concerning the formation of cosmic structure, is a major theme running across current astrophysics. The James Webb Space Telescope (JWST) will offer a unique perspective on this activity, with its high sensitivity and superb resolution. Basic questions include the role of feedback in the formation and evolution of galaxies, interactions between the AGN and the surrounding intracluster medium, and their effects on the metagalactic background. The central theme in this proposal is the development of the theoretical tools needed to realize the diagnostic potential of the 0.6 to 5 micron NIRSpec and 5 to 28 micron MIRI spectroscopic windows offered by JWST, with correspondingly shorter wavelengths at higher redshift. The particular regimes to be addressed include ionic and molecular emission in an evolving environment with a mix of star formation and AGN activity, the physics of dust emission in gas-rich surroundings, in environments that are optically thick to portions of the radiation field. The gas and dust are far from equilibrium, so their spectra depend on detailed atomic and molecular physics. This is a complication, but is also why quantitative spectroscopy reveals so much about the emitting environment. This project supports the development and application of the spectral synthesis code Cloudy. Cloudy is designed to solve the coupled plasma, chemistry, radiation transport, and dynamics problems simultaneously and self consistently, building from a foundation of ab initio atomic and molecular cross sections and rate coefficients. By treating the microphysics without compromise, the macrophysics, including the observed spectrum, will be correct. This makes the code suitable for application to a very wide range of astronomical problems, ranging from the intracluster medium in cool-core clusters, to the innermost regions of an AGN, including the accretion disk and molecular torus. It treats the full range of physical state, from fully ionized to molecular, that JWST will study. All this is done self-consistently with a minimum of free parameters. Cloudy is openly available with its documentation being cited by roughly 200 papers per year. This open access and widespread applicability ensures that the results produced by this project will see broad application. These improvements will facilitate community use of Cloudy in such diverse phenomena as starburst galaxies, gamma ray bursts, and the intergalactic medium, over the spectral bands JWST will cover.

Assessing 1D Atmospheric Solar Radiative Transfer Models: Interpretation and Handling of Unresolved Clouds.

NASA Astrophysics Data System (ADS)

Barker, H. W.; Stephens, G. L.; Partain, P. T.; Bergman, J. W.; Bonnel, B.; Campana, K.; Clothiaux, E. E.; Clough, S.; Cusack, S.; Delamere, J.; Edwards, J.; Evans, K. F.; Fouquart, Y.; Freidenreich, S.; Galin, V.; Hou, Y.; Kato, S.; Li, J.;  Mlawer, E.;  Morcrette, J.-J.;  O'Hirok, W.;  Räisänen, P.;  Ramaswamy, V.;  Ritter, B.;  Rozanov, E.;  Schlesinger, M.;  Shibata, K.;  Sporyshev, P.;  Sun, Z.;  Wendisch, M.;  Wood, N.;  Yang, F.

2003-08-01

The primary purpose of this study is to assess the performance of 1D solar radiative transfer codes that are used currently both for research and in weather and climate models. Emphasis is on interpretation and handling of unresolved clouds. Answers are sought to the following questions: (i) How well do 1D solar codes interpret and handle columns of information pertaining to partly cloudy atmospheres? (ii) Regardless of the adequacy of their assumptions about unresolved clouds, do 1D solar codes perform as intended?One clear-sky and two plane-parallel, homogeneous (PPH) overcast cloud cases serve to elucidate 1D model differences due to varying treatments of gaseous transmittances, cloud optical properties, and basic radiative transfer. The remaining four cases involve 3D distributions of cloud water and water vapor as simulated by cloud-resolving models. Results for 25 1D codes, which included two line-by-line (LBL) models (clear and overcast only) and four 3D Monte Carlo (MC) photon transport algorithms, were submitted by 22 groups. Benchmark, domain-averaged irradiance profiles were computed by the MC codes. For the clear and overcast cases, all MC estimates of top-of-atmosphere albedo, atmospheric absorptance, and surface absorptance agree with one of the LBL codes to within ±2%. Most 1D codes underestimate atmospheric absorptance by typically 15-25 W m-2 at overhead sun for the standard tropical atmosphere regardless of clouds.Depending on assumptions about unresolved clouds, the 1D codes were partitioned into four genres: (i) horizontal variability, (ii) exact overlap of PPH clouds, (iii) maximum/random overlap of PPH clouds, and (iv) random overlap of PPH clouds. A single MC code was used to establish conditional benchmarks applicable to each genre, and all MC codes were used to establish the full 3D benchmarks. There is a tendency for 1D codes to cluster near their respective conditional benchmarks, though intragenre variances typically exceed those for the clear and overcast cases. The majority of 1D codes fall into the extreme category of maximum/random overlap of PPH clouds and thus generally disagree with full 3D benchmark values. Given the fairly limited scope of these tests and the inability of any one code to perform extremely well for all cases begs the question that a paradigm shift is due for modeling 1D solar fluxes for cloudy atmospheres.

Hyperspectral retrieval of surface reflectances: A new scheme

NASA Astrophysics Data System (ADS)

Thelen, Jean-Claude; Havemann, Stephan

2013-05-01

Here, we present a new prototype algorithm for the simultaneous retrieval of the atmospheric profiles (temperature, humidity, ozone and aerosol) and the surface reflectance from hyperspectral radiance measurements obtained from air/space borne, hyperspectral imagers. The new scheme, proposed here, consists of a fast radiative transfer code, based on empirical orthogonal functions (EOFs), in conjunction with a 1D-Var retrieval scheme. The inclusion of an 'exact' scattering code based on spherical harmonics, allows for an accurate treatment of Rayleigh scattering and scattering by aerosols, water droplets and ice-crystals, thus making it possible to also retrieve cloud and aerosol optical properties, although here we will concentrate on non-cloudy scenes.

The chemical composition of TS 01, the most oxygen-deficient planetary nebula. AGB nucleosynthesis in a metal-poor binary star

NASA Astrophysics Data System (ADS)

Stasińska, G.; Morisset, C.; Tovmassian, G.; Rauch, T.; Richer, M. G.; Peña, M.; Szczerba, R.; Decressin, T.; Charbonnel, C.; Yungelson, L.; Napiwotzki, R.; Simón-Díaz, S.; Jamet, L.

2010-02-01

The planetary nebula TS 01 (also called PN G 135.9+55.9 or SBS 1150+599A) with its record-holding low oxygen abundance and its double degenerate close binary core (period 3.9 h) is an exceptional object located in the Galactic halo. We have secured observational data in a complete wavelength range to pin down the abundances of half a dozen elements in the nebula. The abundances are obtained via detailed photoionization modelling which takes into account all the observational constraints (including geometry and aperture effects) using the pseudo-3D photoionization code Cloudy_3D. The spectral energy distribution of the ionizing radiation is taken from appropriate model atmospheres. Incidentally we find from the new observational constraints that both stellar components contribute to the ionization: the “cool” one provides the bulk of hydrogen ionization, while the “hot” one is responsible for the presence of the most highly charged ions, which explains why previous attempts to model the nebula experienced difficulties. The nebular abundances of C, N, O, and Ne are found to be 1/3.5, 1/4.2, 1/70, and 1/11 of the solar value respectively, with uncertainties of a factor 2. Thus the extreme O deficiency of this object is confirmed. The abundances of S and Ar are less than 1/30 of solar. The abundance of He relative to H is 0.089 ± 0.009. Standard models of stellar evolution and nucleosynthesis cannot explain the abundance pattern observed in the nebula. To obtain an extreme oxygen deficiency in a star whose progenitor has an initial mass of about 1 M⊙ requires an additional mixing process, which can be induced by stellar rotation and/or by the presence of the close companion. We have computed a stellar model with an initial mass of 1 M⊙, appropriate metallicity, and initial rotation of 100 km s-1, and find that rotation greatly improves the agreement between the predicted and observed abundances. Based on observations obtained at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council of Canada, the Institut National des Sciences de l'Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii.Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.Based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under NASA contract 1407.

Improved Simulations of Astrophysical Plasmas: Computation of New Atomic Data

NASA Technical Reports Server (NTRS)

Gorczyca, Thomas W.; Korista, Kirk T.

2005-01-01

Our research program is designed to carry out state-of-the-art atomic physics calculations crucial to advancing our understanding of fundamental astrophysical problems. We redress the present inadequacies in the atomic data base along two important areas: dielectronic recombination and inner-shell photoionization and multiple electron ejection/Auger fluorescence therefrom. All of these data are disseminated to the astrophysical community in the proper format for implementation in spectral simulation code.

A Photoionization Study of Cluster Species in a Supersonic Molecular Beam.

DTIC Science & Technology

1982-08-26

260 Code AFRPL MKPA Arlingon, VA 22217 Edwards AFB, CA 93523 Attn: Mr. 0. Siegel Attn: Dr. F. Roberto Office of Naval Research AFSC Western Office...of Naval Research 2 Scientific Research Eastern Central Regional Directorate of Chemical & Office Atmospheric Sciences 495 fumner Street Bolling Air...Directorate of Aero- San Francisco Area Office space Sciences * One Hallidie Plaza Suite 601 Bolling Air Force Base San Francisco, CA 94102 Washington

Determining the partial photoionization cross-sections of ethyl radicals.

PubMed

FitzPatrick, B L; Maienschein-Cline, M; Butler, L J; Lee, S-H; Lin, J J

2007-12-13

Using a crossed laser-molecular beam scattering apparatus, these experiments photodissociate ethyl chloride at 193 nm and detect the Cl and ethyl products, resolved by their center-of-mass recoil velocities, with vacuum ultraviolet photoionization. The data determine the relative partial cross-sections for the photoionization of ethyl radicals to form C2H5+, C2H4+, and C2H3+ at 12.1 and 13.8 eV. The data also determine the internal energy distribution of the ethyl radical prior to photoionization, so we can assess the internal energy dependence of the photoionization cross-sections. The results show that the C2H4++H and C2H3++H2 dissociative photoionization cross-sections strongly depend on the photoionization energy. Calibrating the ethyl radical partial photoionization cross-sections relative to the bandwidth-averaged photoionization cross-section of Cl atoms near 13.8 eV allows us to use these data in conjunction with literature estimates of the Cl atom photoionization cross-sections to put the present bandwidth-averaged cross-sections on an absolute scale. The resulting bandwidth-averaged cross-section for the photoionization of ethyl radicals to C2H5+ near 13.8 eV is 8+/-2 Mb. Comparison of our 12.1 eV data with high-resolution ethyl radical photoionization spectra allows us to roughly put the high-resolution spectrum on the same absolute scale. Thus, one obtains the photoionization cross-section of ethyl radicals to C2H5+ from threshold to 12.1 eV. The data show that the onset of the C2H4++H dissociative photoionization channel is above 12.1 eV; this result offers a simple way to determine whether the signal observed in photoionization experiments on complex mixtures is due to ethyl radicals. We discuss an application of the results for resolving the product branching in the O+allyl bimolecular reaction.

Experimental and theoretical study on emission spectra of a nitrogen photoionized plasma induced by intense EUV pulses

NASA Astrophysics Data System (ADS)

Saber, Ismail; Bartnik, Andrzej; Skrzeczanowski, Wojciech; Wachulak, Przemyslaw; Jarocki, Roman; Fiedorowicz, Henryk; Limpouch, Jiri

2018-01-01

Spectral lines of low-temperature nitrogen photoionized plasma were investigated. The photoionized plasma was created in the result of irradiation N2 gas using laser plasma EUV radiation pulses. The source was based on a 10J/10ns Nd:YAG (λ = 1064 nm) laser system and a gas puff target. The EUV radiation pulses were collected and focused using a grazing incidence multifoil EUV collector. The emission spectra were measured in the ultraviolet and visible (UV/Vis) range. It was found that the plasma emission lines in the lower region of the UV range are relativley weak. Nonetheless, a part of the spectra contains strong molecular band in the 300 - 430 nm originated from second positive and first negative systems band transitions of nitrogen. These molecular band transitions were identified using a code for study the diatomic molecules, LIFBASE. The vibrational band of Δv = 0 and ±1 transitions were significantly populated than of that with Δv = ±2 and 3 transitions. A comparison of the calculated and measured spectrum is presented. With an assumption of a local thermodynamic equilibrium (LTE), the vibrational temperature was determined from the integrated band intensities with the help of the Boltzmann plot method and compared to the temperature predicted by SPECAIR and LIFBASE simulations. A summary of the results and the variations in the vibrational temperatures was discussed.

Characterizing the stellar population of a sample of star forming galaxies with high emission of both [OIV]25.9um and [NeII]12.8um

NASA Astrophysics Data System (ADS)

Martínez-Paredes, M.; Bruzual, G.; Meléndez, M.; González-Martín, O.

2017-11-01

The optical diagnostic diagram te{BPT81, VO87} allow us to discriminate between the different excitation mechanism, like that produce by young stars and that produce by the AGN during the accretion of matter onto the super massive black hole. This kind of tool are important because allow us to study the connection between starburst and AGN. However, despite the great success, the identification of the most heavily dust-obscured systems remains a challenge for optical diagrams. Mid-infrared diagnostic are more suitable to study dust-enshrouded systems, where the effect of dust obscuration can hamper the interpretation of traditional optical diagnostics, since in this spectral range we have access to low-ionization lines (as [Ne II]12.8μm) typical of star forming regions and high ionization lines typical of active galaxies ([OIV]25.9μm), while intermediate ionization-lines ([Ne III]15.3μm) provide a unique scenario where the AGN coexist with active star formation in the host galaxy. In a previous work te{Melendez14} we have carried out extensive and detailed photoionization modeling to successfully separate the different excitation mechanism in the mid-infrared diagnostic diagrams proposed by te{Weaver10}. We successfully modelled the AGN and starburst galaxies ratios lines of [NeIII]/[NeII] Vs [OIV]/[NeIII]. However, we failed in modelling the observed ratio lines in galaxies with a normal star formation activity ([NeIII]/[NeII]<1 and [OIV]/[NeIII]<1). These results suggest the presence of a more complex excitation mechanism in these galaxies. In this project we are using the update stellar population models from te{BC17} that include massive stars, and the update photoionization models from CLOUDY from te{Ferland17}, to characterize the properties of the stellar population that produce the high ionization conditions in these galaxies.

Gadolinium photoionization process

DOEpatents

Paisner, J.A.; Comaskey, B.J.; Haynam, C.A.; Eggert, J.H.

1993-04-13

A method is provided for selective photoionization of the odd-numbered atomic mass gadolinium isotopes 155 and 157. The selective photoionization is accomplished by circular or linear parallel polarized laser beam energy effecting a three-step photoionization pathway.

Gadolinium photoionization process

DOEpatents

Paisner, Jeffrey A.; Comaskey, Brian J.; Haynam, Christopher A.; Eggert, Jon H.

1993-01-01

A method is provided for selective photoionization of the odd-numbered atomic mass gadolinium isotopes 155 and 157. The selective photoionization is accomplished by circular or linear parallel polarized laser beam energy effecting a three-step photoionization pathway.

Inner-shell photoionization of atomic chlorine near the 2p-1 edge: a Breit-Pauli R-matrix calculation

NASA Astrophysics Data System (ADS)

Felfli, Z.; Deb, N. C.; Manson, S. T.; Hibbert, A.; Msezane, A. Z.

2009-05-01

An R-matrix calculation which takes into account relativistic effects via the Breit-Pauli (BP) operator is performed for photoionization cross sections of atomic Cl near the 2p threshold. The wavefunctions are constructed with orbitals generated from a careful large scale configuration interaction (CI) calculation with relativistic corrections using the CIV3 code of Hibbert [1] and Glass and Hibbert [2]. The results are contrasted with the calculation of Martins [3], which uses a CI with relativistic corrections, and compared with the most recent measurements [4]. [1] A. Hibbert, Comput. Phys. Commun. 9, 141 (1975) [2] R. Glass and A. Hibbert, Comput. Phys. Commun. 16, 19 (1978) [3] M. Martins, J. Phys. B 34, 1321 (2001) [4] D. Lindle et al (private communication) Research supported by U.S. DOE, Division of Chemical Sciences, NSF and CAU CFNM, NSF-CREST Program. Computing facilities at Queen's University of Belfast, UK and of DOE Office of Science, NERSC are appreciated.

Anomalous Photoionization in Xe

NASA Astrophysics Data System (ADS)

Klapisch, Marcel; Busquet, Michel

2012-10-01

Photoionization (PI) cross sections are important components of the opacities that are necessary for the simulation of astrophysical and ICF plasmas. Most of PI cross sections (i) start abruptly at threshold and (ii) decrease as an inverse power (e.g.3^rd) of the photon energy. In the framework of the CRASH project [1] we computed Xe opacities with the STA code [2]. We observed that the PI cross section for the 4d shell has neither of these 2 characteristics. We explain this result as interference between the bound 4d wavefunction (wf), the photon, and the free electron wf. Similar, but less pronounced effects are seen for the 5d and 5p shells. Simplified models of PI not involving the actual wf would not show this effect and would probably be inaccurate.[4pt] [1] Doss, F. W., Drake, R. P., and Kuranz, C. C., High Ener. Dens. Phys. 6, 157-61.[0pt] [2] Busquet, M., Klapisch, M., Bar-Shalom, A., et al., Bull. Am. Phys. Soc. 55, 225 (2010).

Atomic Processes in X-ray Photoioinzed Gas

NASA Technical Reports Server (NTRS)

Kallman, Timothy

2005-01-01

It has long been known that photoionization and photoabsorption play a dominant role in determining the state of gas in nebulae surrounding hot stars and in active galaxies. Recent observations of X-ray spectra demonstrate that these processes are also dominant in highly ionized gas near compact objects, and also affect the transmission of X-rays from the majority of astronomical sources. This has led to new insights into the understanding of what is going on in these sources. It has also pointed out the need for accurate atomic cross sections for photoionization and absorption, notably for processes involving inner shells. The xstar code can be used for calculating the heating, ionization and reprocessing of X-rays by gas in a range of ionization states and temperatures. It has recently been updated to include an improved treatment of inner shell transitions in iron. I will review the capabilities of xstar, the atomic data, and illustrate some applications to recent X-ray spectral observations.

Photoionization Modeling with TITAN Code, Distance to the Warm Absorber in AGN

NASA Astrophysics Data System (ADS)

Różańska, A.

2012-08-01

We present a method that allows us to estimate a distance from the source of continuum radiation located in the center of AGN to the highly ionized gas - warm absorber (WA). We computed a set of constant total pressure photoionization models compatible with the warm absorber conditions, where a metal-rich gas is irradiated by a continuum in the form of a double powerlaw. The first powerlaw is hard, up to 100 keV, and represents radiation from an X-ray source, while the second powerlaw extends up to several eV, and illustrates radiation from an accretion disk. When the ionized continuum is dominated by the soft component, the warm absorber is heated by free-free absorption, instead of Comptonization, and the transmitted spectra show different absorption-line characteristics for different values of the hydrogen number density at the cloud illuminated surface. This fact results in the possibility of deriving the number density on the cloud illuminated side from observations, and hence the distance to the warm absorber.

Photoionization bands of rubidium molecule

NASA Astrophysics Data System (ADS)

Rakić, M.; Pichler, G.

2018-03-01

We studied the absorption spectrum of dense rubidium vapor generated in a T-type sapphire cell with a special emphasis on the structured photoionization continuum observed in the 200-300 nm spectral region. The photoionization spectrum has a continuous atomic contribution with a pronounced Seaton-Cooper minimum at about 250 nm and a molecular photoionization contribution with many broad bands. We discuss the possible origin of the photoionization bands as stemming from the absorption from the ground state of the Rb2 molecule to excited states of Rb2+* and to doubly excited autoionizing states of Rb2** molecule. All these photoionization bands are located above the Rb+ and Rb2+ ionization limits.

Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization.

PubMed

Germann, Matthias; Willitsch, Stefan

2016-07-28

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O2 reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ions produced by photoionization.

Solar photoionization as a loss mechanism of neutral interstellar hydrogen in interplanetary space

NASA Technical Reports Server (NTRS)

Ogawa, H. S.; Wu, C. Y. Robert; Gangopadhyay, P.; Judge, D. L.

1995-01-01

Two primary loss mechanisms of interstellar neutral hydrogen in interplanetary space are resonance charge exchange ionization with solar wind protons and photoionization by solar EUV radiation. The later process has often been neglected since the average photoionization rate has been estimated to be as much as 5 to 10 times smaller than the charge exchange rate. These factors are based on ionization rates from early measurements of solar EUV and solar wind fluxes. Using revised solar EUV and solar wind fluxes measured near the ecliptic plane we have reinvestigated the ionization rates of interplanetary hydrogen. The result of our analysis indicates that indeed the photoionization rate during solar minimum can be smaller than charge exchange by a factor of 5; however, during solar maximum conditions when solar EUV fluxes are high, and solar wind fluxes are low, photoionization can be over 60% of the charge exchange rate at Earth orbit. To obtain an accurate estimate of the importance of photoionization relative to charge exchange, we have included photoionization from both the ground and metastable states of hydrogen. We find, however, that the photoionization from the metastable state does not contribute significantly to the overall photoionization rate.

Surface states in the photoionization of high-quality CdSe core/shell nanocrystals.

PubMed

Li, Shu; Steigerwald, Michael L; Brus, Louis E

2009-05-26

We use electric force microscopy (EFM) to study single nanocrystal photoionization in two classes of high-quality nanocrystals whose exciton luminescence quantum yields approach unity in solution. The CdSe/CdS/ZnS core/shell nanocrystals do not photoionize, while the CdSe/CdS nanocrystals do show substantial photoionization. This verifies the theoretical prediction that the ZnS shell confines the excited electron within the nanocrystal. Despite the high luminescence quantum yield, photoionization varies substantially among the CdSe/CdS nanocrystals. We have studied the nanocrystal photoionization with both UV (396 nm) and green (532 nm) light, and we have found that the magnitude of the charge due to photoionization per absorbed photon is greater for UV excitation than for green excitation. A fraction of the photoionization occurs directly via a "hot electron" process, using trap states that are either on the particle surface, within the ligand sphere, or within the silicon oxide layer. This must occur without relaxation to the thermalized, lowest-energy, emitting exciton. We discuss the occurrence of hot carrier processes that are common to photoionization, luminescence blinking, and the fast transient optical absorption that is associated with multiple exciton generation MEG studies.

Recent Advances in Understanding the Reactivity of Energetic Ionic Liquids in Propulsion Applications

DTIC Science & Technology

2014-08-12

vacuum ultraviolet photoionization of catalytically decomposed aerosols of EILs will be discussed. 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION...45 photoionization , fragmentation: thermal decomposition, photoionization : M06/6-31+G(d,p) AE = 10.37 eV Distribution A:  Approved for public... photoionization , fragmentation: thermal decomposition, photoionization : M06/6-31+G(d,p) Distribution A:  Approved for public release; distribution

Performance analysis of a parallel Monte Carlo code for simulating solar radiative transfer in cloudy atmospheres using CUDA-enabled NVIDIA GPU

NASA Astrophysics Data System (ADS)

Russkova, Tatiana V.

2017-11-01

One tool to improve the performance of Monte Carlo methods for numerical simulation of light transport in the Earth's atmosphere is the parallel technology. A new algorithm oriented to parallel execution on the CUDA-enabled NVIDIA graphics processor is discussed. The efficiency of parallelization is analyzed on the basis of calculating the upward and downward fluxes of solar radiation in both a vertically homogeneous and inhomogeneous models of the atmosphere. The results of testing the new code under various atmospheric conditions including continuous singlelayered and multilayered clouds, and selective molecular absorption are presented. The results of testing the code using video cards with different compute capability are analyzed. It is shown that the changeover of computing from conventional PCs to the architecture of graphics processors gives more than a hundredfold increase in performance and fully reveals the capabilities of the technology used.

Surface retrievals from Hyperion EO1 using a new, fast, 1D-Var based retrieval code

NASA Astrophysics Data System (ADS)

Thelen, Jean-Claude; Havemann, Stephan; Wong, Gerald

2015-05-01

We have developed a new algorithm for the simultaneous retrieval of the atmospheric profiles (temperature, humidity, ozone and aerosol) and the surface reflectance from hyperspectral radiance measurements obtained from air/space-borne, hyperspectral imagers such as Hyperion EO-1. The new scheme, proposed here, consists of a fast radiative transfer code, based on empirical orthogonal functions (EOFs), in conjunction with a 1D-Var retrieval scheme. The inclusion of an 'exact' scattering code based on spherical harmonics, allows for an accurate treatment of Rayleigh scattering and scattering by aerosols, water droplets and ice-crystals, thus making it possible to also retrieve cloud and aerosol optical properties, although here we will concentrate on non-cloudy scenes. We successfully tested this new approach using hyperspectral images taken by Hyperion EO-1, an experimental pushbroom imaging spectrometer operated by NASA.

Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons.

PubMed

Johansson, K Olof; Campbell, Matthew F; Elvati, Paolo; Schrader, Paul E; Zádor, Judit; Richards-Henderson, Nicole K; Wilson, Kevin R; Violi, Angela; Michelsen, Hope A

2017-06-15

We have measured photoionization-efficiency curves for pyrene, fluoranthene, chrysene, perylene, and coronene in the photon energy range of 7.5-10.2 eV and derived their photoionization cross-section curves in this energy range. All measurements were performed using tunable vacuum ultraviolet (VUV) radiation generated at the Advanced Light Source synchrotron at Lawrence Berkeley National Laboratory. The VUV radiation was used for photoionization, and detection was performed using a time-of-flight mass spectrometer. We measured the photoionization efficiency of 2,5-dimethylfuran simultaneously with those of pyrene, fluoranthene, chrysene, perylene, and coronene to obtain references of the photon flux during each measurement from the known photoionization cross-section curve of 2,5-dimethylfuran.

Molecular Frame Reconstruction Using Time-Domain Photoionization Interferometry.

PubMed

Marceau, Claude; Makhija, Varun; Platzer, Dominique; Naumov, A Yu; Corkum, P B; Stolow, Albert; Villeneuve, D M; Hockett, Paul

2017-08-25

Photoionization of molecular species is, essentially, a multipath interferometer with both experimentally controllable and intrinsic molecular characteristics. In this work, XUV photoionization of impulsively aligned molecular targets (N_{2}) is used to provide a time-domain route to "complete" photoionization experiments, in which the rotational wave packet controls the geometric part of the photoionization interferometer. The data obtained is sufficient to determine the magnitudes and phases of the ionization matrix elements for all observed channels, and to reconstruct molecular frame interferograms from lab frame measurements. In principle, this methodology provides a time-domain route to complete photoionization experiments and the molecular frame, which is generally applicable to any molecule (no prerequisites), for all energies and ionization channels.

Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O{sub 2} reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ionsmore » produced by photoionization.« less

Photoionization Rate of Atomic Oxygen

NASA Astrophysics Data System (ADS)

Meier, R. R.; McLaughlin, B. M.; Warren, H. P.; Bishop, J.

2006-05-01

Accurate knowledge of the photoionization rate of atomic oxygen is important for the study and understanding of the ionospheres and emission processes of terrestrial, planetary, and cometary atmospheres. Past calculations of the photoionization rate have been carried out at various spectral resolutions, but none were at sufficiently high resolution to accommodate accidental resonances between solar emission lines and highly structured auto-ionization features in the photoionization cross section. A new version of the NRLEUV solar spectral irradiance model (at solar minimum) and a new model of the O photoionization cross section enable calculations at very high spectral resolution. We find unattenuated photoionization rates computed at 0.001 nm resolution are larger than those at moderate resolution (0.1 nm) by amounts approaching 20%. Allowing for attenuation in the terrestrial atmosphere, we find differences in photoionization rates computed at high and moderate resolution to vary with altitude, especially below 200 km where deviations of plus or minus 20% occur between the two cases.

Absolute photoionization cross-section of the methyl radical.

PubMed

Taatjes, Craig A; Osborn, David L; Selby, Talitha M; Meloni, Giovanni; Fan, Haiyan; Pratt, Stephen T

2008-10-02

The absolute photoionization cross-section of the methyl radical has been measured using two completely independent methods. The CH3 photoionization cross-section was determined relative to that of acetone and methyl vinyl ketone at photon energies of 10.2 and 11.0 eV by using a pulsed laser-photolysis/time-resolved synchrotron photoionization mass spectrometry method. The time-resolved depletion of the acetone or methyl vinyl ketone precursor and the production of methyl radicals following 193 nm photolysis are monitored simultaneously by using time-resolved synchrotron photoionization mass spectrometry. Comparison of the initial methyl signal with the decrease in precursor signal, in combination with previously measured absolute photoionization cross-sections of the precursors, yields the absolute photoionization cross-section of the methyl radical; sigma(CH3)(10.2 eV) = (5.7 +/- 0.9) x 10(-18) cm(2) and sigma(CH3)(11.0 eV) = (6.0 +/- 2.0) x 10(-18) cm(2). The photoionization cross-section for vinyl radical determined by photolysis of methyl vinyl ketone is in good agreement with previous measurements. The methyl radical photoionization cross-section was also independently measured relative to that of the iodine atom by comparison of ionization signals from CH3 and I fragments following 266 nm photolysis of methyl iodide in a molecular-beam ion-imaging apparatus. These measurements gave a cross-section of (5.4 +/- 2.0) x 10(-18) cm(2) at 10.460 eV, (5.5 +/- 2.0) x 10(-18) cm(2) at 10.466 eV, and (4.9 +/- 2.0) x 10(-18) cm(2) at 10.471 eV. The measurements allow relative photoionization efficiency spectra of methyl radical to be placed on an absolute scale and will facilitate quantitative measurements of methyl concentrations by photoionization mass spectrometry.

Benchmarking Attosecond Physics with Atomic Hydrogen

DTIC Science & Technology

2015-05-25

theoretical simulations are available in this regime. We provided accurate reference data on the photoionization yield and the CEP-dependent...this difficulty. This experiment claimed to show that, contrary to current understanding, the photoionization of an atomic electron is not an... photoion yield and transferrable intensity calibration. The dependence of photoionization probability on laser intensity is one of the most

Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons

DOE PAGES

Johansson, K. Olof; Campbell, Matthew F.; Elvati, Paolo; ...

2017-05-18

We have measured photoionization-efficiency curves for pyrene, fluoranthene, chrysene, perylene, and coronene in the photon energy range of 7.5-10.2 eV and derived their photoionization cross-section curves in this energy range. All measurements were performed using tunable vacuum ultraviolet (VUV) radiation generated at the Advanced Light Source synchrotron at Lawrence Berkeley National Laboratory. The VUV radiation was used for photoionization, and detection was performed using a time-of-flight mass spectrometer. We measured the photoionization efficiency of 2,5-dimethylfuran simultaneously with those of pyrene, fluoranthene, chrysene, perylene, and coronene to obtain references of the photon flux during each measurement from the known photoionization cross-sectionmore » curve of 2,5- dimethylfuran.« less

Angular dependence of EWS time delay for photoionization of @Xe

NASA Astrophysics Data System (ADS)

Mandal, Ankur; Deshmukh, Pranawa; Kheifets, Anatoli; Dolmatov, Valeriy; Manson, Steven

2017-04-01

Interference between photoionization channels leads to angular dependence in photoionization time delay. Angular dependence is found to be a common effect for two-photon absorption experiments very recently. The effect of confinement on the time delay where each partial wave contributions to the ionization are studied. In this work we report angular dependence and confinement effects on Eisenbud-Wigner-Smith (EWS) time delay in atomic photoionization. Using and we computed the EWS time delay for free and confined Xe atom for photoionization from inner 4d3/2 and 4d5/2 and outer 5p1/2 and 5p3/2 subshells at various angles. The calculated EWS time delay is few tens to few hundreds of attoseconds (10-18 second). The photoionization time delay for @Xe follows that in the free Xe atom on which the confinement oscillations are built. The present work reveals the effect of confinement on the photoionization time delay at different angles between photoelectron ejection and the photon polarization.

VUV photoionization cross sections of HO2, H2O2, and H2CO.

PubMed

Dodson, Leah G; Shen, Linhan; Savee, John D; Eddingsaas, Nathan C; Welz, Oliver; Taatjes, Craig A; Osborn, David L; Sander, Stanley P; Okumura, Mitchio

2015-02-26

The absolute vacuum ultraviolet (VUV) photoionization spectra of the hydroperoxyl radical (HO2), hydrogen peroxide (H2O2), and formaldehyde (H2CO) have been measured from their first ionization thresholds to 12.008 eV. HO2, H2O2, and H2CO were generated from the oxidation of methanol initiated by pulsed-laser-photolysis of Cl2 in a low-pressure slow flow reactor. Reactants, intermediates, and products were detected by time-resolved multiplexed synchrotron photoionization mass spectrometry. Absolute concentrations were obtained from the time-dependent photoion signals by modeling the kinetics of the methanol oxidation chemistry. Photoionization cross sections were determined at several photon energies relative to the cross section of methanol, which was in turn determined relative to that of propene. These measurements were used to place relative photoionization spectra of HO2, H2O2, and H2CO on an absolute scale, resulting in absolute photoionization spectra.

Numerical models for the diffuse ionized gas in galaxies. I. Synthetic spectra of thermally excited gas with turbulent magnetic reconnection as energy source

NASA Astrophysics Data System (ADS)

Hoffmann, T. L.; Lieb, S.; Pauldrach, A. W. A.; Lesch, H.; Hultzsch, P. J. N.; Birk, G. T.

2012-08-01

Aims: The aim of this work is to verify whether turbulent magnetic reconnection can provide the additional energy input required to explain the up to now only poorly understood ionization mechanism of the diffuse ionized gas (DIG) in galaxies and its observed emission line spectra. Methods: We use a detailed non-LTE radiative transfer code that does not make use of the usual restrictive gaseous nebula approximations to compute synthetic spectra for gas at low densities. Excitation of the gas is via an additional heating term in the energy balance as well as by photoionization. Numerical values for this heating term are derived from three-dimensional resistive magnetohydrodynamic two-fluid plasma-neutral-gas simulations to compute energy dissipation rates for the DIG under typical conditions. Results: Our simulations show that magnetic reconnection can liberate enough energy to by itself fully or partially ionize the gas. However, synthetic spectra from purely thermally excited gas are incompatible with the observed spectra; a photoionization source must additionally be present to establish the correct (observed) ionization balance in the gas.

3D PIC-MCC simulations of discharge inception around a sharp anode in nitrogen/oxygen mixtures

NASA Astrophysics Data System (ADS)

Teunissen, Jannis; Ebert, Ute

2016-08-01

We investigate how photoionization, electron avalanches and space charge affect the inception of nanosecond pulsed discharges. Simulations are performed with a 3D PIC-MCC (particle-in-cell, Monte Carlo collision) model with adaptive mesh refinement for the field solver. This model, whose source code is available online, is described in the first part of the paper. Then we present simulation results in a needle-to-plane geometry, using different nitrogen/oxygen mixtures at atmospheric pressure. In these mixtures non-local photoionization is important for the discharge growth. The typical length scale for this process depends on the oxygen concentration. With 0.2% oxygen the discharges grow quite irregularly, due to the limited supply of free electrons around them. With 2% or more oxygen the development is much smoother. An almost spherical ionized region can form around the electrode tip, which increases in size with the electrode voltage. Eventually this inception cloud destabilizes into streamer channels. In our simulations, discharge velocities are almost independent of the oxygen concentration. We discuss the physical mechanisms behind these phenomena and compare our simulations with experimental observations.

Double photoionization of atoms

NASA Astrophysics Data System (ADS)

Wiedenhoeft, Marco

2003-10-01

Double photoionization studies of atoms and molecules are new state-of-the-art studies providing a deeper knowledge of multi-electron excitations. This type of work advances the understanding of many-body problems. Double photoionization of atoms is of great interest to learn about electron-electron correlation and relaxation effects in atoms and molecules. In order to study double photoionization processes, a new electron-electron coincidence apparatus was built to carry out the measurements. I will present the apparatus I built as well as the results of the measurement of the triply-differential-cross-section (TDCS) for the predicted interference and Post-Collision-Interaction (PCI) effects in the Xenon N5O2,3 O2,3 Auger decay after 4d5/2 photoionization. Furthermore I present measurements for direct double photoionization of Helium at various photon energies.

Highly Resolved Studies of Vacuum Ultraviolet Photoionization Dynamics

NASA Astrophysics Data System (ADS)

Kakar, Sandeep

We use measurements of dispersed fluorescence from electronically excited photoions to study fundamental aspects of intramolecular dynamics. Our experimental innovations make it possible to obtain highly resolved photoionization data that offer qualitative insights into molecular scattering. In particular, we obtain vibrationally resolved data to probe coupling between the electronic and nuclear degrees of freedom by studying the distribution of vibrational energy among photoions. Vibrationally resolved branching ratios are measured over a broad spectral range of excitation energy and their non-Franck-Condon behavior is used as a tool to investigate two diverse aspects of shape resonant photoionization. First, vibrational branching ratios are obtained for the SiF_4 5a _1^{-1} and CS_2 5sigma_{rm u} ^{-1} photoionization channels to help elucidate the microscopic aspects of shape resonant wavefunction for polyatomic molecules. It is shown that in such molecules the shape resonant wavefunction is not necessarily attributable to a specific bond in the molecule. Second, the multichannel aspect of shape resonant photoionization dynamics, reflected in continuum channel coupling, is investigated by obtaining vibrational branching ratios for the 2 sigma_{rm u}^{ -1} and 4sigma^{ -1} photoionization of the isoelectronic molecules N_2 and CO, respectively. These data indicate that effects of continuum coupling may be widespread. We also present the first set of rotationally resolved data over a wide energy range for the 2 sigma_{rm u}^{ -1} photoionization of N_2. These data probe the partitioning of the angular momentum between the photoelectron and photoion, and highlight the multicenter nature of the molecular potential. These case studies illustrate the utility of dispersed fluorescence measurements as a complement to photoelectron spectroscopy for obtaining highly resolved data for molecular photoionization. These measurements makes it possible to probe intrinsically molecular aspects, such as the vibration and rotation, of photoionization dynamics over an extended spectral range when used in conjunction with synchrotron radiation as the exciting source. Furthermore, the high resolution made possible by this technique provides high selectivity for accessing weaker ionization channels which are the ones strongly affected by resonant activity, and the present study repeatedly stresses the importance of this capability in discovering and deciphering new trends in resonant molecular ionization dynamics.

Absolute photoionization cross section of the ethyl radical in the range 8-11.5 eV: synchrotron and vacuum ultraviolet laser measurements.

PubMed

Gans, Bérenger; Garcia, Gustavo A; Boyé-Péronne, Séverine; Loison, Jean-Christophe; Douin, Stéphane; Gaie-Levrel, François; Gauyacq, Dolores

2011-06-02

The absolute photoionization cross section of C(2)H(5) has been measured at 10.54 eV using vacuum ultraviolet (VUV) laser photoionization. The C(2)H(5) radical was produced in situ using the rapid C(2)H(6) + F → C(2)H(5) + HF reaction. Its absolute photoionization cross section has been determined in two different ways: first using the C(2)H(5) + NO(2) → C(2)H(5)O + NO reaction in a fast flow reactor, and the known absolute photoionization cross section of NO. In a second experiment, it has been measured relative to the known absolute photoionization cross section of CH(3) as a reference by using the CH(4) + F → CH(3) + HF and C(2)H(6) + F → C(2)H(5) + HF reactions successively. Both methods gave similar results, the second one being more precise and yielding the value: σ(C(2)H(5))(ion) = (5.6 ± 1.4) Mb at 10.54 eV. This value is used to calibrate on an absolute scale the photoionization curve of C(2)H(5) produced in a pyrolytic source from the C(2)H(5)NO(2) precursor, and ionized by the VUV beam of the DESIRS beamline at SOLEIL synchrotron facility. In this latter experiment, a recently developed ion imaging technique is used to discriminate the direct photoionization process from dissociative ionization contributions to the C(2)H(5)(+) signal. The imaging technique applied on the photoelectron signal also allows a slow photoelectron spectrum with a 40 meV resolution to be extracted, indicating that photoionization around the adiabatic ionization threshold involves a complex vibrational overlap between the neutral and cationic ground states, as was previously observed in the literature. Comparison with earlier photoionization studies, in particular with the photoionization yield recorded by Ruscic et al. is also discussed. © 2011 American Chemical Society

Mapping the Distribution of Cloud Forests Using MODIS Imagery

NASA Astrophysics Data System (ADS)

Douglas, M. W.; Mejia, J.; Murillo, J.; Orozco, R.

2007-05-01

Tropical cloud forests - those forests that are frequently immersed in clouds or otherwise very humid, are extremely difficult to map from the ground, and are not easily distinguished in satellite imagery from other forest types, but they have a very different flora and fauna than lowland rainforest. Cloud forests, although found in many parts of the tropics, have a very restricted vertical extent and thus are also restricted horizontally. As a result, they are subject to both human disturbance (coffee growing for example) and the effects of possible climate change. Motivated by a desire to seek meteorological explanations for the distribution of cloud forests, we have begun to map cloudiness using MODIS Terra and Aqua visible imagery. This imagery, at ~1030 LT and 1330 LT, is an approximation for mid-day cloudiness. In tropical regions the amount of mid-day cloudiness strongly controls the shortwave radiation and thus the potential for evaporation (and aridity). We have mapped cloudiness using a simple algorithm that distinguishes between the cloud-free background brightness and the generally more reflective clouds to separate clouds from the underlying background. A major advantage of MODIS imagery over many other sources of satellite imagery is its high spatial resolution (~250m). This, coupled with precisely navigated images, means that detailed maps of cloudiness can be produced. The cloudiness maps can then be related to the underlying topography to further refine the location of the cloud forests. An advantage of this technique is that we are mapping the potential cloud forest, based on cloudiness, rather than the actual cloud forest, which are commonly based on forest estimates from satellite and digital elevation data. We do not derive precipitation, only estimates of daytime cloudiness. Although only a few years of MODIS imagery has been used in our studies, we will show that this is sufficient to describe the climatology of cloudiness with acceptable accuracy for its intended purposes. Even periods as short as one month are sufficient for depicting the location of most cloud forest environments. However, we are proceeding to distinguish different characteristics of cloud forests, depending on the overall frequency of cloudiness, the seasonality of cloudiness, and the interannual variability of cloudiness. These results should be useful to those seeking to describe relationships between the physical characteristics of the cloud forests and their biological environment.

Climatic change by cloudiness linked to the spatial variability of sea surface temperatures

NASA Technical Reports Server (NTRS)

Otterman, J.

1975-01-01

An active role in modifying the earth's climate is suggested for low cloudiness over the circumarctic oceans. Such cloudiness, linked to the spatial differences in ocean surface temperatures, was studied. The temporal variations from year to year of ocean temperature patterns can be pronounced and therefore, the low cloudiness over this region should also show strong temporal variations, affecting the albedo of the earth and therefore the climate. Photographs are included.

EAULIQ: The Next Generation

NASA Technical Reports Server (NTRS)

Randall, David A.; Fowler, Laura D.

1999-01-01

This report summarizes the design of a new version of the stratiform cloud parameterization called Eauliq; the new version is called Eauliq NG. The key features of Eauliq NG are: (1) a prognostic fractional area covered by stratiform cloudiness, following the approach developed by M. Tiedtke for use in the ECMWF model; (2) separate prognostic thermodynamic variables for the clear and cloudy portions of each grid cell; (3) separate vertical velocities for the clear and cloudy portions of each grid cell, allowing the model to represent some aspects of observed mesoscale circulations; (4) cumulus entrainment from both the clear and cloudy portions of a grid cell, and cumulus detrainment into the cloudy portion only; and (5) the effects of the cumulus-induced subsidence in the cloudy portion of a grid cell on the cloud water and ice there. In this paper we present the mathematical framework of Eauliq NG; a discussion of cumulus effects; a new parameterization of lateral mass exchanges between clear and cloudy regions; and a theory to determine the mesoscale mass circulation, based on the hypothesis that the stratiform clouds remain neutrally buoyant through time and that the mesoscale circulations are the mechanism which makes this possible. An appendix also discusses some time-differencing methods.

SLUG - stochastically lighting up galaxies - III. A suite of tools for simulated photometry, spectroscopy, and Bayesian inference with stochastic stellar populations

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.; Fumagalli, Michele; da Silva, Robert L.; Rendahl, Theodore; Parra, Jonathan

2015-09-01

Stellar population synthesis techniques for predicting the observable light emitted by a stellar population have extensive applications in numerous areas of astronomy. However, accurate predictions for small populations of young stars, such as those found in individual star clusters, star-forming dwarf galaxies, and small segments of spiral galaxies, require that the population be treated stochastically. Conversely, accurate deductions of the properties of such objects also require consideration of stochasticity. Here we describe a comprehensive suite of modular, open-source software tools for tackling these related problems. These include the following: a greatly-enhanced version of the SLUG code introduced by da Silva et al., which computes spectra and photometry for stochastically or deterministically sampled stellar populations with nearly arbitrary star formation histories, clustering properties, and initial mass functions; CLOUDY_SLUG, a tool that automatically couples SLUG-computed spectra with the CLOUDY radiative transfer code in order to predict stochastic nebular emission; BAYESPHOT, a general-purpose tool for performing Bayesian inference on the physical properties of stellar systems based on unresolved photometry; and CLUSTER_SLUG and SFR_SLUG, a pair of tools that use BAYESPHOT on a library of SLUG models to compute the mass, age, and extinction of mono-age star clusters, and the star formation rate of galaxies, respectively. The latter two tools make use of an extensive library of pre-computed stellar population models, which are included in the software. The complete package is available at http://www.slugsps.com.

ATTENUATION OF VISIBLE SUNLIGHT BY LIMITED VISIBILITY AND CLOUDINESS

EPA Science Inventory

Variability in the irradiance measurements arises from systematic changes in the solar zenith angle (SZA), cloudiness and changing visibility. Measurements in the wavelength band centered on 612 nm serve as a reference for the initial characterization of the effects of cloudy ...

Photoionization of atoms and molecules. [of hydrogen, helium, and xenon

NASA Technical Reports Server (NTRS)

Samson, J. A. R.

1976-01-01

A literature review on the present state of knowledge in photoionization is presented. Various experimental techniques that have been developed to study photoionization, such as fluorescence and photoelectron spectroscopy, mass spectroscopy, are examined. Various atoms and molecules were chosen to illustrate these techniques, specifically helium and xenon atoms and hydrogen molecules. Specialized photoionization such as in positive and negative ions, excited states, and free radicals is also treated. Absorption cross sections and ionization potentials are also discussed.

High efficiency photoionization detector

DOEpatents

Anderson, David F.

1984-01-01

A high efficiency photoionization detector using tetraaminoethylenes in a gaseous state having a low ionization potential and a relative photoionization cross section which closely matches the emission spectrum of xenon gas. Imaging proportional counters are also disclosed using the novel photoionization detector of the invention. The compound of greatest interest is TMAE which comprises tetrakis(dimethylamino)ethylene which has a measured ionization potential of 5.36.+-.0.02 eV, and a vapor pressure of 0.35 torr at 20.degree. C.

Photoabsorption and S 2p photoionization of the SF6 molecule: resonances in the excitation energy range of 200-280 eV.

PubMed

Stener, M; Bolognesi, P; Coreno, M; O'Keeffe, P; Feyer, V; Fronzoni, G; Decleva, P; Avaldi, L; Kivimäki, A

2011-05-07

Photoabsorption and S 2p photoionization of the SF(6) molecule have been studied experimentally and theoretically in the excitation energy range up to 100 eV above the S 2p ionization potentials. In addition to the well-known 2t(2g) and 4e(g) shape resonances, the spin-orbit-resolved S 2p photoionization cross sections display two weak resonances between 200 and 210 eV, a wide resonance around 217 eV, a Fano-type resonance around 240 eV, and a second wide resonance around 260 eV. Calculations based on time-dependent density functional theory allow us to assign the 217-eV and 260-eV features to the shape resonances in S 2p photoionization. The Fano resonance is caused by the interference between the direct S 2p photoionization channel and the resonant channel that results from the participator decay of the S 2s(-1)6t(1u) excited state. The weak resonances below 210-eV photon energy, not predicted by theory, are tentatively suggested to originate from the coupling between S 2p shake-up photoionization and S 2p single-hole photoionization. The experimental and calculated angular anisotropy parameters for S 2p photoionization are in good agreement.

A project based on multi-configuration Dirac-Fock calculations for plasma spectroscopy

NASA Astrophysics Data System (ADS)

Comet, M.; Pain, J.-C.; Gilleron, F.; Piron, R.

2017-09-01

We present a project dedicated to hot plasma spectroscopy based on a Multi-Configuration Dirac-Fock (MCDF) code, initially developed by J. Bruneau. The code is briefly described and the use of the transition state method for plasma spectroscopy is detailed. Then an opacity code for local-thermodynamic-equilibrium plasmas using MCDF data, named OPAMCDF, is presented. Transition arrays for which the number of lines is too large to be handled in a Detailed Line Accounting (DLA) calculation can be modeled within the Partially Resolved Transition Array method or using the Unresolved Transition Arrays formalism in jj-coupling. An improvement of the original Partially Resolved Transition Array method is presented which gives a better agreement with DLA computations. Comparisons with some absorption and emission experimental spectra are shown. Finally, the capability of the MCDF code to compute atomic data required for collisional-radiative modeling of plasma at non local thermodynamic equilibrium is illustrated. In addition to photoexcitation, this code can be used to calculate photoionization, electron impact excitation and ionization cross-sections as well as autoionization rates in the Distorted-Wave or Close Coupling approximations. Comparisons with cross-sections and rates available in the literature are discussed.

A Benchmark Experiment for Photoionized Plasma Emission from Accretion-Powered X-ray Sources

NASA Astrophysics Data System (ADS)

Loisel, G.; Bailey, J.; Nagayama, T.; Hansen, S.; Rochau, G.; Liedahl, D.; Fontes, C.; Kallman, T.; Mancini, R.

2017-10-01

Accretion-powered emission from X-ray binaries or black-hole accretion in Active Galactic Nuclei is a powerful diagnostic for their behavior and structure. Interpretation of x-ray emission from these objects requires a spectral synthesis model for photoionized plasma. Models must predict the photoionized charge state distribution, the photon emission processes, and the radiation transport influence on the observed emission. At the Z facility, we have measured simultaneously emission and absorption from a photoionized silicon plasma suitable to benchmark photoionization and spectrum formation models with +/-5% reproducibility and E/dE >2500 spectral resolution. Plasma density, temperature, and charge state distribution are determined with absorption spectroscopy. Self-emission measured at adjustable column densities tests radiation transport effects. Observation of 14 transitions in He-like silicon will help understand population mechanisms in a photoionized plasma. First observation of radiative recombination continuum in a photoionized plasma will be presented. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525.

Photoionization using the xchem approach: Total and partial cross sections of Ne and resonance parameters above the 2 s22 p5 threshold

NASA Astrophysics Data System (ADS)

Marante, Carlos; Klinker, Markus; Kjellsson, Tor; Lindroth, Eva; González-Vázquez, Jesús; Argenti, Luca; Martín, Fernando

2017-08-01

The XCHEM approach interfaces well established quantum chemistry packages with scattering numerical methods in order to describe single-ionization processes in atoms and molecules. This should allow one to describe electron correlation in the continuum at the same level of accuracy as quantum chemistry methods do for bound states. Here we have applied this method to study multichannel photoionization of Ne in the vicinity of the autoionizing states lying between the 2 s22 p5 and 2 s 2 p6 ionization thresholds. The calculated total photoionization cross sections are in very good agreement with the absolute measurement of Samson et al. [J. Electron Spectrosc. Relat. Phenom. 123, 265 (2002), 10.1016/S0368-2048(02)00026-9], and with independent benchmark calculations performed at the same level of theory. From these cross sections, we have extracted resonance positions, total autoionization widths, Fano profile parameters, and correlation parameters for the lowest three autoionizing states. The values of these parameters are in good agreement with those reported in earlier theoretical and experimental work. We have also evaluated β asymmetry parameter and partial photoionization cross sections and, from the latter, partial autoionization widths and Starace parameters for the same resonances, not yet available in the literature. Resonant features in the calculated β parameter are in good agreement with the experimental observations. We have found that the three lowest resonances preferentially decay into the 2 p-1ɛ d continuum rather than into the 2 p-1ɛ s one [Phys. Rev. A 89, 043415 (2014), 10.1103/PhysRevA.89.043415], in agreement with previous expectations, and that in the vicinity of the resonances the partial 2 p-1ɛ s cross section can be larger than the 2 p-1ɛ d one, in contrast with the accepted idea that the latter should amply dominate in the whole energy range. These results show the potential of the XCHEM approach to describe highly correlated process in the ionization continuum of many-electron systems, in particular molecules, for which the XCHEM code has been specifically designed.

High efficiency photoionization detector

DOEpatents

Anderson, D.F.

1984-01-31

A high efficiency photoionization detector is described using tetraaminoethylenes in a gaseous state having a low ionization potential and a relative photoionization cross section which closely matches the emission spectrum of xenon gas. Imaging proportional counters are also disclosed using the novel photoionization detector of the invention. The compound of greatest interest is TMAE which comprises tetrakis(dimethylamino)ethylene which has a measured ionization potential of 5.36 [+-] 0.02 eV, and a vapor pressure of 0.35 torr at 20 C. 6 figs.

Photoionization of Atoms and Ions: Application of Time-Dependent Response Method within the Density Functional Theory.

DTIC Science & Technology

1987-10-13

AD-A±95 686 PHOTOIONIZATION OF ATOMS AND IONS: APPLICATION OF III TIME-DEPENDENT RESPONSE..(U) NAVAL RESEARCH LAB WASHINGTON DC U GUPTA ET AL. 13 OCT...on revere if ncemy and idmntify by block number) FIELD GROUP SUBGROUP Photoionization Density functional Atoms Time dependent 1 S. (Continue on...reverse if necenary and identify by block numnbw) The photoionization cross-section of several atoms (AT, Xe, Rn, Cs) and ions (Ne-like Ar, H-like and Li

Photoionization of the Buckminsterfullerene Cation.

PubMed

Douix, Suzie; Duflot, Denis; Cubaynes, Denis; Bizau, Jean-Marc; Giuliani, Alexandre

2017-01-05

Photoionization of a buckminsterfullerene ion is investigated using an ion trap and a merged beam setup coupled to synchrotron radiation beamlines and compared to theoretical calculations. Absolute measurements derived from the ion trap experiment allow discrepancies concerning the photoionization cross section of C 60 + to be solved.

40 CFR 60.613 - Monitoring of emissions and operations.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., photoionization, or thermal conductivity, each equipped with a continuous recorder. (2) Where a condenser is the... detection principle such as infra-red, photoionization, or thermal conductivity, each equipped with a... based on a detection principle such as infra-red, photoionization, or thermal conductivity, each...

21cm Absorption Line Zeeman Observations And Modeling Of Physical Conditions In M16

NASA Astrophysics Data System (ADS)

Kiuchi, Furea; Brogan, C.; Troland, T.

2011-01-01

We present detailed 21 cm HI absorption line observations of M16 using the Very Large Array. The M16 "pillars of creation" are classic examples of the interaction of ISM with radiation from young, hot stars. Magnetic fields can affect these interactions, the 21 cm Zeeman effect reveals magnetic field strengths in the Photodissociation regions associated with the pillars. The present results yield a 3-sigma upper limit upon the line-of-sight magnetic field of about 300 microgauss. This limit is consistent with a total field strength of 500 microgauss, required in the molecular gas if magnetic energies and turbulent energies in the pillars are in equipartition. Most likely, magnetic fields do not play a dominant role in the dynamics of the M16 pillars. Another goal of this study is to determine the distribution of cold HI in the M16 region and to model the physical conditions in the neutral gas in the pillars. We used the spectral synthesis code Cloudy 08.00 for this purpose. We adopted the results of a published Cloudy HII region model and extended this model into the neutral gas to derive physical conditions therein.

Observations of Orion in all four 18 cm OH Thermal Absoprtion Lines

NASA Astrophysics Data System (ADS)

Moore, Amber M.; Momjian, Emmanuel; Troland, Thomas; Sarma, Anuj; Greisen, Eric

2018-01-01

We present results obtained with Karl G. Jansky Very Large Array (VLA) D-configuration observations of the 18 cm OH absorption lines in the Orion Veil; a sheet of material 2-4 pc in front of the Trapezium stars. The goals of these observations were to (a) measure the magnetic field through the Zeeman effect using the 18 cm OH mainlines at 1665 and 1667 MHz and compare the results with those obtained with the pre upgrade VLA, (b) observe all four 18 cm OH lines (the two mainlines and the two satellite lines at 1612 and 1720 MHz) to infer physical conditions in the absorbing regions. For the first goal, we found that the more recent measurements are comparable to the earlier published results. To achieve the second goal, we plan to use the Cloudy spectral synthesis code to model physical conditions based upon observations of all four 18 cm OH lines. We also anticipate using Cloudy to assess the viability of a model previously applied to the M17 PDR in which the magnetic field of the Veil is in hydrostatic equilibrium with radiation pressure of stellar uv from the Trapezium.

X-ray Spectral Formation In High-mass X-ray Binaries: The Case Of Vela X-1

NASA Astrophysics Data System (ADS)

Akiyama, Shizuka; Mauche, C. W.; Liedahl, D. A.; Plewa, T.

2007-05-01

We are working to develop improved models of radiatively-driven mass flows in the presence of an X-ray source -- such as in X-ray binaries, cataclysmic variables, and active galactic nuclei -- in order to infer the physical properties that determine the X-ray spectra of such systems. The models integrate a three-dimensional time-dependent hydrodynamics capability (FLASH); a comprehensive and uniform set of atomic data, improved calculations of the line force multiplier that account for X-ray photoionization and non-LTE population kinetics, and X-ray emission-line models appropriate to X-ray photoionized plasmas (HULLAC); and a Monte Carlo radiation transport code that simulates Compton scattering and recombination cascades following photoionization. As a test bed, we have simulated a high-mass X-ray binary with parameters appropriate to Vela X-1. While the orbital and stellar parameters of this system are well constrained, the physics of X-ray spectral formation is less well understood because the canonical analytical wind velocity profile of OB stars does not account for the dynamical and radiative feedback effects due to the rotation of the system and to the irradiation of the stellar wind by X-rays from the neutron star. We discuss the dynamical wind structure of Vela X-1 as determined by the FLASH simulation, where in the binary the X-ray emission features originate, and how the spatial and spectral properties of the X-ray emission features are modified by Compton scattering, photoabsorption, and fluorescent emission. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

Measurements of mass attenuation coefficients and determination of photoionization cross sections at energies across the Li (i=1-3) edges of 66Dy

NASA Astrophysics Data System (ADS)

Kaur, Rajnish; Kumar, Anil; Osan, Janos; Czyzycki, M.; Karydas, A. G.; Puri, Sanjiv

2017-07-01

The absolute values of the mass attenuation coefficients have been measured at sixty two photon energies across the Li (i=1-3) sub-shell absorption edges of 66Dy covering the region 7.6-14.0 keV in order to investigate the influence of near-edge processes on the attenuation coefficients. The present measured attenuation coefficients are found to be higher by up to 10% than the theoretical values evaluated from the computer code XCOM (Berger et al., 2010) and the self-consistent Dirac-Hartree-Slater (DHS) model based values tabulated by Chantler (1995) over the energy region 7.6-14.0 keV, except at energies in vicinity (few eV) of the Li (i=1-3) sub-shell absorption edge energies where the measured values are significantly higher (up to 37%) than both the sets of theoretical values. Further, the Li (i=1-3) sub-shell photoionization cross sections, (σLiP)exp, deduced from the present measured mass attenuation coefficients are compared with the non-relativistic Hartree-Fock-Slater (HFS) model based values tabulated by Scofield (1973) and those evaluated from the theoretical total photoionization attenuation coefficients tabulated by Chantler (1995). The deduced (σLiP)exp(i=1-3) values are found to be in better agreement with those evaluated from the tabulations given by Chantler (1995) than the values given by Scofield (1973) over the energy region 7.8 - 14.0 keV included in this study. However, at photon energies up to few eV above the Li edges, the deduced (σLiP)exp(i=1-3) values are found to be significantly higher (up to 32%) than both the sets of theoretical values.

Dissociative and double photoionization of CO from threshold to 90 A

NASA Technical Reports Server (NTRS)

Masuoka, T.; Samson, J. A. R.

1981-01-01

Partial cross sections for molecular photoionization (CO(+)), dissociative photoionization (C(+) and O(+)), and dissociative double photoionization (C(2+)) in CO have been measured from their thresholds to 90 A using techniques of mass spectrometry. The results are compared with data reported previously. Several peaks observed in the cross section curves for dissociated fragments are tentatively assigned by comparing with those in the photoelectron spectra reported for CO. It is concluded that the shoulder in the total absorption cross section curve between 400 and 90 A results solely from the dissociative ionization processes.

Quantifying Feedback from Narrow Line Region Outflows in Nearby Active Galaxies. I. Spatially Resolved Mass Outflow Rates for the Seyfert 2 Galaxy Markarian 573

NASA Astrophysics Data System (ADS)

Revalski, M.; Crenshaw, D. M.; Kraemer, S. B.; Fischer, T. C.; Schmitt, H. R.; Machuca, C.

2018-03-01

We present the first spatially resolved mass outflow rate measurements ({\\dot{M}}out}) of the optical emission line gas in the narrow line region (NLR) of a Seyfert 2 galaxy, Markarian 573. Using long slit spectra and [O III] imaging from the Hubble Space Telescope and Apache Point Observatory in conjunction with emission line diagnostics and Cloudy photoionization models, we find a peak outflow rate of {\\dot{M}}out}≈ 3.4 +/- 0.5 {M}ȯ {yr}}-1 at a distance of 210 pc from the central supermassive black hole (SMBH). The outflow extends to distances of 600 pc from the nucleus with a total mass and kinetic energy of M ≈ 2.2 × 106 M ⊙ and E ≈ 5.1 × 1054 erg, revealing the outflows to be more energetic than those in the lower luminosity Seyfert 1 galaxy NGC 4151. The peak outflow rate is an order of magnitude larger than the mass accretion and nuclear outflow rates, indicating local in situ acceleration of the circumnuclear NLR gas. We compare these results to global techniques that quantify an average outflow rate across the NLR, and find the latter are subject to larger uncertainties. These results indicate that spatially resolved observations are critical for probing AGN feedback on scales where circumnuclear star formation occurs.

MODIS Collection 6 Clear Sky Restoral (CSR): Filtering Cloud Mast 'Not Clear' Pixels

NASA Technical Reports Server (NTRS)

Meyer, Kerry G.; Platnick, Steven Edward; Wind, Galina; Riedi, Jerome

2014-01-01

Correctly identifying cloudy pixels appropriate for the MOD06 cloud optical and microphysical property retrievals is accomplished in large part using results from the MOD35 1km cloud mask tests (note there are also two 250m subpixel cloud mask tests that can convert the 1km cloudy designations to clear sky). However, because MOD35 is by design clear sky conservative (i.e., it identifies "not clear" pixels), certain situations exist in which pixels identified by MOD35 as "cloudy" are nevertheless likely to be poor retrieval candidates. For instance, near the edge of clouds or within broken cloud fields, a given 1km MODIS field of view (FOV) may in fact only be partially cloudy. This can be problematic for the MOD06 retrievals because in these cases the assumptions of a completely overcast homogenous cloudy FOV and 1-dimensional plane-parallel radiative transfer no longer hold, and subsequent retrievals will be of low confidence. Furthermore, some pixels may be identified by MOD35 as "cloudy" for reasons other than the presence of clouds, such as scenes with thick smoke or lofted dust, and should therefore not be retrieved as clouds. With such situations in mind, a Clear Sky Restoral (CSR) algorithm was introduced in C5 that attempts to identify pixels expected to be poor retrieval candidates. Table 1 provides SDS locations for CSR and partly cloudy (PCL) pixels.

Research on fluorescence from photoionization, photodissociation, and vacuum, along with bending quantrum study

NASA Technical Reports Server (NTRS)

Judge, D. L.

1975-01-01

Reports of research concerning the fluorescence of CS2 are presented. Fluorescence from fragments of CS2 vapor produced by vacuum ultraviolet radiation, and fluorescence from photoionization of CS2 vapor are discussed along with fluorescence produced by photodissociation of CS2, and fluorescence from photoionization of OCS.

Theory of attosecond delays in molecular photoionization.

PubMed

Baykusheva, Denitsa; Wörner, Hans Jakob

2017-03-28

We present a theoretical formalism for the calculation of attosecond delays in molecular photoionization. It is shown how delays relevant to one-photon-ionization, also known as Eisenbud-Wigner-Smith delays, can be obtained from the complex dipole matrix elements provided by molecular quantum scattering theory. These results are used to derive formulae for the delays measured by two-photon attosecond interferometry based on an attosecond pulse train and a dressing femtosecond infrared pulse. These effective delays are first expressed in the molecular frame where maximal information about the molecular photoionization dynamics is available. The effects of averaging over the emission direction of the electron and the molecular orientation are introduced analytically. We illustrate this general formalism for the case of two polyatomic molecules. N 2 O serves as an example of a polar linear molecule characterized by complex photoionization dynamics resulting from the presence of molecular shape resonances. H 2 O illustrates the case of a non-linear molecule with comparably simple photoionization dynamics resulting from a flat continuum. Our theory establishes the foundation for interpreting measurements of the photoionization dynamics of all molecules by attosecond metrology.

Photoionization and heating of a supernova-driven turbulent interstellar medium

NASA Astrophysics Data System (ADS)

Barnes, J. E.; Wood, Kenneth; Hill, Alex S.; Haffner, L. M.

2014-06-01

The diffuse ionized gas (DIG) in galaxies traces photoionization feedback from massive stars. Through three-dimensional photoionization simulations, we study the propagation of ionizing photons, photoionization heating and the resulting distribution of ionized and neutral gas within snapshots of magnetohydrodynamic simulations of a supernova-driven turbulent interstellar medium. We also investigate the impact of non-photoionization heating on observed optical emission line ratios. Inclusion of a heating term which scales less steeply with electron density than photoionization is required to produce diagnostic emission line ratios similar to those observed with the Wisconsin Hα Mapper. Once such heating terms have been included, we are also able to produce temperatures similar to those inferred from observations of the DIG, with temperatures increasing to above 15 000 K at heights |z| ≳ 1 kpc. We find that ionizing photons travel through low-density regions close to the mid-plane of the simulations, while travelling through diffuse low-density regions at large heights. The majority of photons travel small distances (≲100 pc); however some travel kiloparsecs and ionize the DIG.

Observed and modeled patterns of covariability between low-level cloudiness and the structure of the trade-wind layer

DOE PAGES

Nuijens, Louise; Medeiros, Brian; Sandu, Irina; ...

2015-11-06

We present patterns of covariability between low-level cloudiness and the trade-wind boundary layer structure using long-term measurements at a site representative of dynamical regimes with moderate subsidence or weak ascent. We compare these with ECMWF’s Integrated Forecast System and 10 CMIP5 models. By using single-time step output at a single location, we find that models can produce a fairly realistic trade-wind layer structure in long-term means, but with unrealistic variability at shorter-time scales. The unrealistic variability in modeled cloudiness near the lifting condensation level (LCL) is due to stronger than observed relationships with mixed-layer relative humidity (RH) and temperature stratificationmore » at the mixed-layer top. Those relationships are weak in observations, or even of opposite sign, which can be explained by a negative feedback of convection on cloudiness. Cloudiness near cumulus tops at the tradewind inversion instead varies more pronouncedly in observations on monthly time scales, whereby larger cloudiness relates to larger surface winds and stronger trade-wind inversions. However, these parameters appear to be a prerequisite, rather than strong controlling factors on cloudiness, because they do not explain submonthly variations in cloudiness. Models underestimate the strength of these relationships and diverge in particular in their responses to large-scale vertical motion. No model stands out by reproducing the observed behavior in all respects. As a result, these findings suggest that climate models do not realistically represent the physical processes that underlie the coupling between trade-wind clouds and their environments in present-day climate, which is relevant for how we interpret modeled cloud feedbacks.« less

Optimized fractional cloudiness determination from five ground-based remote sensing techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boers, R.; de Haij, M. J.; Wauben, W.M.F.

2010-12-23

A one-year record of fractional cloudiness at 10 minute intervals was generated for the Cabauw Experimental Site for Atmospheric Research [CESAR] (51°58’N, 4° 55’E) using an integrated assessment of five different observational methods. The five methods are based on active as well as passive systems and use either a hemispheric or column remote sensing technique. The one-year instrumental cloudiness data were compared against a 30 year climatology of Observer data in the vicinity of CESAR [1971- 2000]. In the intermediate 2 - 6 octa range, most instruments, but especially the column methods, report lower frequency of occurrence of cloudiness thanmore » the absolute minimum values from the 30 year Observer climatology. At night, the Observer records less clouds in the 1, 2 octa range than during the day, while the instruments registered more clouds. During daytime the Observer also records much more 7 octa cloudiness than the instruments. One column method combining a radar with a lidar outstrips all other techniques in recording cloudiness, even up to height in excess of 9 km. This is mostly due to the high sensitivity of the radar that is used in the technique. A reference algorithm was designed to derive a continuous and optimized record of fractional cloudiness. Output from individual instruments were weighted according to the cloud base height reported at the observation time; the larger the height, the lower the weight. The algorithm was able to provide fractional cloudiness observations every 10 minutes for 98% of the total period of 12 months [15 May 2008 - 14 May 2009].« less

Observed and modeled patterns of covariability between low-level cloudiness and the structure of the trade-wind layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nuijens, Louise; Medeiros, Brian; Sandu, Irina

We present patterns of covariability between low-level cloudiness and the trade-wind boundary layer structure using long-term measurements at a site representative of dynamical regimes with moderate subsidence or weak ascent. We compare these with ECMWF’s Integrated Forecast System and 10 CMIP5 models. By using single-time step output at a single location, we find that models can produce a fairly realistic trade-wind layer structure in long-term means, but with unrealistic variability at shorter-time scales. The unrealistic variability in modeled cloudiness near the lifting condensation level (LCL) is due to stronger than observed relationships with mixed-layer relative humidity (RH) and temperature stratificationmore » at the mixed-layer top. Those relationships are weak in observations, or even of opposite sign, which can be explained by a negative feedback of convection on cloudiness. Cloudiness near cumulus tops at the tradewind inversion instead varies more pronouncedly in observations on monthly time scales, whereby larger cloudiness relates to larger surface winds and stronger trade-wind inversions. However, these parameters appear to be a prerequisite, rather than strong controlling factors on cloudiness, because they do not explain submonthly variations in cloudiness. Models underestimate the strength of these relationships and diverge in particular in their responses to large-scale vertical motion. No model stands out by reproducing the observed behavior in all respects. As a result, these findings suggest that climate models do not realistically represent the physical processes that underlie the coupling between trade-wind clouds and their environments in present-day climate, which is relevant for how we interpret modeled cloud feedbacks.« less

FAST TRACK COMMUNICATION: Generalized geometrical model for photoionization of polarized atoms: II. Magnetic dichroism in the 3p photoemission from the K 3p64s 2S1/2 ground state

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, A. N.; Cubaynes, D.; Heinecke, E.; Hoffmann, P.; Zimmermann, P.; Meyer, M.

2010-10-01

The generalized geometrical model for photoionization from polarized atoms is extended to include mixing of configurations in the initial atomic and/or the final photoion states. The theoretical results for angle-resolved linear and circular magnetic dichroism are in good agreement with new high-resolution photoelectron data for 3p-1 photoionization of potassium atoms polarized in the K 3p64s 2S1/2 ground state by laser optical pumping.

Photoelectron photoion molecular beam spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trevor, D.J.

1980-12-01

The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed.

Simulations of cloudy hyperspectral infrared radiances using the HT-FRTC, a fast PC-based multipurpose radiative transfer code

NASA Astrophysics Data System (ADS)

Havemann, S.; Aumann, H. H.; Desouza-Machado, S. G.

2017-12-01

The HT-FRTC uses principal components which cover the spectrum at a very high spectral resolution allowing very fast line-by-line-like, hyperspectral and broadband simulations for satellite-based, airborne and ground-based sensors. Using data from IASI and from the Airborne Research Interferometer Evaluation System (ARIES) on board the FAAM BAE 146 aircraft, variational retrievals in principal component space with HT-FRTC as forward model have demonstrated that valuable information on temperature and humidity profiles and on the cirrus cloud properties can be obtained simultaneously. The NASA/JPL/UMBC cloudy RTM inter-comparison project has been working on a global dataset consisting of 7377 AIRS spectra. Initial simulations with HT-FRTC for this dataset have been promising. A next step taken here is to investigate how sensitive the results are with respect to different assumptions in the cloud modelling. One aspect of this is to study how assumptions about the microphysical and related optical properties of liquid/ice clouds impact the statistics of the agreement between model and observations. The other aspect is about the cloud overlap scheme. Different schemes have been tested (maximum, random, maximum random). As the computational cost increases linearly with the number of cloud columns, it will be investigated if there is an optimal number of columns beyond which there is little additional benefit to be gained. During daytime the high wave number channels of AIRS are affected by solar radiation. With full scattering calculations using a monochromatic version of the Edwards-Slingo radiation code the HT-FRTC can model solar radiation reasonably well, but full scattering calculations are relatively expensive. Pure Chou scaling on the other hand can not properly describe scattering of solar radiation by clouds and requires additional refinements.

Solar energy distribution over Egypt using cloudiness from Meteosat photos

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mosalam Shaltout, M.A.; Hassen, A.H.

1990-01-01

In Egypt, there are 10 ground stations for measuring the global solar radiation, and five stations for measuring the diffuse solar radiation. Every day at noon, the Meteorological Authority in Cairo receives three photographs of cloudiness over Egypt from the Meteosat satellite, one in the visible, and two in the infra-red bands (10.5-12.5 {mu}m) and (5.7-7.1 {mu}m). The monthly average cloudiness for 24 sites over Egypt are measured and calculated from Meteosat observations during the period 1985-1986. Correlation analysis between the cloudiness observed by Meteosat and global solar radiation measured from the ground stations is carried out. It is foundmore » that, the correlation coefficients are about 0.90 for the simple linear regression, and increase for the second and third degree regressions. Also, the correlation coefficients for the cloudiness with the diffuse solar radiation are about 0.80 for the simple linear regression, and increase for the second and third degree regression. Models and empirical relations for estimating the global and diffuse solar radiation from Meteosat cloudiness data over Egypt are deduced and tested. Seasonal maps for the global and diffuse radiation over Egypt are carried out.« less

Atomic Data for Nebular Abundance Determinations: Photoionization and Recombination Properties of Xenon Ions

NASA Astrophysics Data System (ADS)

Sterling, Nicholas C.; Kerlin, Austin B.

2016-01-01

We present preliminary results of a study of the photoionization (PI) and recombination properties of low-charge Xe ions. The abundances of neutron(n)-capture elements (atomic number Z > 30) are of interest in planetary nebulae (PNe) since they can be enriched by slow n-capture nucleosynthesis (the ``s-process'') in the progenitor asymptotic giant branch (AGB) stars. Xe is particularly valuable, because it is the most widely-observed ``heavy-s'' species (Z > 40) in PNe. Its abundance relative to lighter n-capture elements can be used to determine s-process neutron exposures, and constrain s-process enrichment patterns as a function of progenitor metallicity. Using the atomic structure code AUTOSTRUCTURE (Badnell 2011, Comp. Phys. Comm., 182, 1528), we have computed multi-configuration Breit-Pauli distorted-wave PI cross sections and radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for neutral through six-times ionized Xe, data which are critically needed for accurate Xe abundance determinations in ionized nebulae. We find good agreement between our computed direct PI cross sections and experimental measurements. Internal uncertainties are estimated for our calculations by using three different configuration interaction expansions for each ion, and by testing the sensitivity of our results to the radial orbital scaling parameters. As found for other n-capture elements (Sterling & Witthoeft 2011, A&A, 529, A147; Sterling 2011, A&A, 533, A62), DR is the dominant recombination mechanism for Xe ions at nebular temperatures (~104 K). Following Sterling et al. (2015, ApJS, 218, 25), these data will be added to nebular modeling codes to compute ionization correction factors for unobserved Xe ions in PNe, which will enable elemental Xe abundances to be determined with much higher accuracy than is currently possible. This work is supported by NSF award AST-1412928.

Photoionization of three isomers of the C9H7 radical.

PubMed

Hemberger, Patrick; Steinbauer, Michael; Schneider, Michael; Fischer, Ingo; Johnson, Melanie; Bodi, Andras; Gerber, Thomas

2010-04-15

Three resonance-stabilized radicals, 1-indenyl (Ind), 1-phenylpropargyl (1PPR), and 3-phenylpropargyl (3PPR), all isomers of the composition C(9)H(7), were generated by jet flash pyrolysis. Their photoionization was examined by VUV synchrotron radiation. The mass spectra show a clean and efficient radical generation when the pyrolysis is turned on. To study the photoionization, photoion yield measurements and threshold photoionization spectroscopy techniques were applied. We determined adiabatic ionization energies (IE(ad)) of 7.53 eV for Ind, 7.20 eV for 3PPR, and 7.4 eV for 1PPR. Ab initio calculations show no major change in geometry upon ionization, in agreement with ionization from a nonbonding molecular orbital. The IEs were also computed and are in agreement with the measured ones. The difference in the IE might allow a distinction of the three isomers in flames. In the indenyl spectrum, an excited a(+) (3)B(2) state of the cation was identified at 8.10 eV, which shows a low-energy vibrational progression of 61 meV. Furthermore, we have examined the dissociative photoionization of the precursors. The indenyl precursor, 1-indenyl bromide, undergoes dissociative photoionization to Ind(+). An appearance energy (AE(0K)) of 10.2 eV was obtained from fitting the experimental breakdown diagram. A binding energy of 1.8 eV can thus be determined for the C-Br bond in 1-indenyl bromide. The phenylpropargyl precursors 1PPBr (1-phenylpropargyl bromide/3-phenyl-3-bromopropyne) and 3PPBr (3-phenylpropargyl bromide/1-phenyl-3-bromopropyne) also lose a bromine atom upon dissociative photoionization. Approximate appearance energies of 9.8 eV for 3PPBr and 9.3 eV for 1PPBr have been determined.

Note: a novel vacuum ultraviolet light source assembly with aluminum-coated electrodes for enhancing the ionization efficiency of photoionization mass spectrometry.

PubMed

Zhu, Zhixiang; Wang, Jian; Qiu, Keqing; Liu, Chengyuan; Qi, Fei; Pan, Yang

2014-04-01

A novel vacuum ultraviolet (VUV) light source assembly (VUVLSA) for enhancing the ionization efficiency of photoionization mass spectrometer has been described. The VUVLSA composes of a Krypton lamp and a pair of disk electrodes with circular center cavities. The two interior surfaces that face the photoionization region were aluminum-coated. VUV light can be reflected back and forth in the photoionization region between the electrodes, thus the photoionization efficiency can be greatly enhanced. The performances of two different shaped electrodes, the coated double flat electrodes (DFE), and double conical electrodes, were studied. We showed that the signal amplification of coated DFE is around 4 times higher than that of uncoated electrodes without VUV light reflection. The relationship between the pressure of ionization chamber and mass signal enhancement has also been studied.

Photoionization and electron-impact ionization of Ar5+

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.C.; Lu, M.; Esteves, D.

2007-02-27

Absolute cross sections for photoionization andelectron-impact Photionization of Ar5+ have been measuredusing twodifferent interacting-beams setups. The spectra consist of measurementsof the yield of products dueto single ionization as a function ofelectron or photon energy. In addition, absolute photoionization andelectron-impact ionization cross sections were measured to normalize themeasured Ar6+ product-ion yield spectra. In the energy range from 90 to111 eV, both electron-impact ionization and photoionization of Ar5+aredominated by indirect 3s subshell excitation-autoionization. In theenergy range from 270 to 285 eV, resonances due to 2p-3dexcitation-autoionization are prominent in the photoionization spectrum.In the range from 225 to 335 eV, an enhancement due tomore » 2p-nl (n>2>excitations are evident in the electron-impactionization cross section.The electron and photon impact data show some features due to excitationof the same intermediate autoionizing states.« less

Optimal Dynamic Detection of Explosives (ODD-EX)

DTIC Science & Technology

2011-12-29

2. Control of nitromethane photoionization efficiency with shaped femtosecond pulses, J. Roslund, O. Shir, A. Dogariu, R. Miles, H. Rabitz, J. Chem...feedback loop. 2. Control of nitromethane photoionization efficiency with shaped femtosecond pulses, J. Roslund, O. Shir, A. Dogariu, R. Miles, H. Rabitz...resonances that allow a significant increase in the photoionization efficiency of nitromethane with shaped near-infrared femtosecond pulses. The

Near-threshold photoionization of hydrogenlike uranium studied in ion-atom collisions via the time-reversed process.

PubMed

Stöhlker, T; Ma, X; Ludziejewski, T; Beyer, H F; Bosch, F; Brinzanescu, O; Dunford, R W; Eichler, J; Hagmann, S; Ichihara, A; Kozhuharov, C; Krämer, A; Liesen, D; Mokler, P H; Stachura, Z; Swiat, P; Warczak, A

2001-02-05

Radiative electron capture, the time-reversed photoionization process occurring in ion-atom collisions, provides presently the only access to photoionization studies for very highly charged ions. By applying the deceleration mode of the ESR storage ring, we studied this process in low-energy collisions of bare uranium ions with low- Z target atoms. This technique allows us to extend the current information about photoionization to much lower energies than those accessible for neutral heavy elements in the direct reaction channel. The results prove that for high- Z systems, higher-order multipole contributions and magnetic corrections persist even at energies close to the threshold.

Determination of photoionization cross-sections of different organic molecules using gas chromatography coupled to single-photon ionization (SPI) time-of-flight mass spectrometry (TOF-MS) with an electron-beam-pumped rare gas excimer light source (EBEL): influence of molecular structure and analytical implications.

PubMed

Eschner, Markus S; Zimmermann, Ralf

2011-07-01

This work describes a fast and reliable method for determination of photoionization cross-sections (PICS) by means of gas chromatography (GC) coupled to single-photon ionization mass spectrometry (SPI-MS). Photoionization efficiency (PIE) data for 69 substances was obtained at a photon energy of 9.8 ± 0.4 eV using an innovative electron-beam-pumped rare gas excimer light source (EBEL) filled with argon. The investigated analytes comprise 12 alkylbenzenes as well as 11 other substituted benzenes, 23 n-alkanes, ten polyaromatic hydrocarbons, seven aromatic heterocycles, and six polyaromatic heterocycles. Absolute PICS for each substance at 9.8 eV are calculated from the relative photoionization efficiencies of the compounds with respect to benzene, whose photoionization cross-section data is well known. Furthermore, a direct correlation between the type of benzene substituents and their absolute PICS is presented and discussed in depth. Finally, comparison of previously measured photoionization cross-sections for 20 substances shows good agreement with the data of the present work.

Photoionization and Recombination

NASA Technical Reports Server (NTRS)

Nahar, Sultana N.

2000-01-01

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.

A discharge flow-photoionization mass spectrometric study of the FO(X 2 Pi i) radical. Photoionization efficiency spectrum and ionization energy

NASA Technical Reports Server (NTRS)

Zhang, Zhengyu; Kuo, Szu-Cherng; Klemm, R. Bruce; Monks, Paul S.; Stief, Louis J.

1994-01-01

Photoionization efficiency spectra of FO were measured over the wavelength range 80.0-100.0 nm and in the ionization threshold region, 94.0-100.0 nm, using a discharge flow-photoionization mass spectrometer apparatus coupled to a synchrotron radiation source. FO was generated by the reaction of F2P atoms with NO3 and via a F2O2 discharge. A value of 12.78 +/- 0.03 eV was obtained for the adiabatic ionization energy of FO from photoion thresholds which corresponds to FO(+)(X 3 Sigma -) from FO(X 2 Pi i). These results, which are the first to be obtained by direct Photo-ionization mass spectrometry (PIMS) measurements, corroborate those of a photoelectron spectroscopy (PES) study; however, the ionization energy determined here is free from interferences due to other species which complicated the PES measurement. A value of 109.5 +/- 8.0 kJ/mol for Delta f H 0 298(FO) is computed from the present value of IE(FO) and a previous appearance energy measurement, and a value for the proton affinity of FO is calculated to be 511.5 +/- 10.0 kJ/mol.

The Continuous Intercomparison of Radiation Codes (CIRC): Phase I Cases

NASA Technical Reports Server (NTRS)

Oreopoulos, Lazaros; Mlawer, Eli; Delamere, Jennifer; Shippert, Timothy; Turner, David D.; Miller, Mark A.; Minnis, Patrick; Clough, Shepard; Barker, Howard; Ellingson, Robert

2007-01-01

CIRC aspires to be the successor to ICRCCM (Intercomparison of Radiation Codes in Climate Models). It is envisioned as an evolving and regularly updated reference source for GCM-type radiative transfer (RT) code evaluation with the principle goal to contribute in the improvement of RT parameterizations. CIRC is jointly endorsed by DOE's Atmospheric Radiation Measurement (ARM) program and the GEWEX Radiation Panel (GRP). CIRC's goal is to provide test cases for which GCM RT algorithms should be performing at their best, i.e, well characterized clear-sky and homogeneous, overcast cloudy cases. What distinguishes CIRC from previous intercomparisons is that its pool of cases is based on observed datasets. The bulk of atmospheric and surface input as well as radiative fluxes come from ARM observations as documented in the Broadband Heating Rate Profile (BBHRP) product. BBHRP also provides reference calculations from AER's RRTM RT algorithms that can be used to select the most optimal set of cases and to provide a first-order estimate of our ability to achieve radiative flux closure given the limitations in our knowledge of the atmospheric state.

Dissociative photoionization of 1,3-butadiene: experimental and theoretical insights.

PubMed

Fang, Wenzheng; Gong, Lei; Zhang, Qiang; Shan, Xiaobin; Liu, Fuyi; Wang, Zhenya; Sheng, Liusi

2011-05-07

The vacuum-ultraviolet photoionization and dissociative photoionization of 1,3-butadiene in a region ∼8.5-17 eV have been investigated with time-of-flight photoionization mass spectrometry using tunable synchrotron radiation. The adiabatic ionization energy of 1,3-butadiene and appearance energies for its fragment ions, C(4)H(5)(+), C(4)H(4)(+), C(4)H(3)(+), C(3)H(3)(+), C(2)H(4)(+), C(2)H(3)(+), and C(2)H(2)(+), are determined to be 9.09, 11.72, 13.11, 15.20, 11.50, 12.44, 15.15, and 15.14 eV, respectively, by measurements of photoionization efficiency spectra. Ab initio molecular orbital calculations have been performed to investigate the reaction mechanism of dissociative photoionization of 1,3-butadiene. On the basis of experimental and theoretical results, seven dissociative photoionization channels are proposed: C(4)H(5)(+) + H, C(4)H(4)(+) + H(2), C(4)H(3)(+) + H(2) + H, C(3)H(3)(+) + CH(3), C(2)H(4)(+) + C(2)H(2), C(2)H(3)(+) + C(2)H(2) + H, and C(2)H(2)(+) + C(2)H(2) + H(2). Channel C(3)H(3)(+) + CH(3) is found to be the dominant one, followed by C(4)H(5)(+) + H and C(2)H(4)(+) + C(2)H(2). The majority of these channels occur via isomerization prior to dissociation. Transition structures and intermediates for those isomerization processes were also determined.

Nanopaleomagnetism of Meteoritic Fe-Ni: the Potential for Time-Resolved Remanence Records within the Cloudy Zone

NASA Astrophysics Data System (ADS)

Harrison, R. J.; Bryson, J. F.; Kasama, T.; Church, N. S.; Herrero Albillos, J.; Kronast, F.; Ghidini, M.; Redfern, S. A.; van der Laan, G.; Tyliszczak, T.

2013-12-01

Paleomagnetic signals recorded by meteorites provide compelling evidence that the liquid cores of differentiated asteroids generated magnetic dynamo fields. Here we argue that magnetic nanostructures unique to meteoritic Fe-Ni metal are capable of carrying a time-resolved record of asteroid dynamo activity, a prospect that could revolutionise our understanding of the thermochemical conditions of differentiated bodies in the early solar system. Using a combination of high-resolution magnetic imaging techniques (including electron holography, magnetic force microscopy, X-ray photoemission electron microscopy and scanning transmission X-ray microscopy) we reveal the origins of the dramatic changes in magnetic properties that are associated with the transition from kamacite - tetrataenite rim - cloudy zone - plessite, typical of Fe-Ni intergrowths. The cloudy zone is comprised of nanoscale islands of tetrataenite (FeNi) coherently intergrown with a hitherto unobserved soft magnetic phase (Fe3Ni). The tetrataenite island diameter decreases with increasing lateral distance from the tetrataenite rim. Exchange coupling between the hard tetrataenite islands and the soft matrix phase leads to an exchange spring effect that lowers the tetrataenite switching field and causes a systematic variation in microcoercivity throughout the cloudy zone. The cloudy zone displays a complex interlocking magnetic domain pattern caused by uniaxial single domain tetrataenite islands with easy axes distributed along all three of the possible <100> crystallographic orientations. The coarse and intermediate cloudy zones contain a random distribution of all three easy axes. The fine cloudy zone, on the other hand, contains one dominant easy axis direction. This easy axis distribution suggests that strong interaction fields (either magnetic or stress) were present in this region at the time of tetrataenite formation, which likely originated from the neighbouring plessite. The easy axis distribution in the coarse and intermediate cloudy zone indicates a lack of interaction fields present at the time of formation, implying that deviations from randomness could be used to detect the presence of an external (e.g. dynamo) field. Zoned metallic grains within chondritic meteorites originating from the top ~5-10% of a differentiated asteroid may have formed their cloudy zones while the core was generating a dynamo field. In this case, as the cloudy zone formed continuously over a period of 10-100 Ma it had the potential to encode sequential information regarding the dynamo field as the spinodal microstructure developed laterally. Thus the local magnetic structure as a function of position throughout the cloudy zone could relate to the time dependence of an asteroid dynamo field. The experimental and analysis methods presented in this study could, in principle, be used to measure the relative strength (proportion of dominant easy axis) and direction (direction of dominant easy axis) of an asteroid dynamo field over ~100 Ma.

Development of the Microwave Radiative Transfer Program for Cloudy Atmospheres: Applications to DMSP SSM/T Channels.

DTIC Science & Technology

1979-12-30

42.22 122.52 Cloudy Green Bay 0253 Z Wisconsin (WI) 23 Nov 79 44.29 88.08 Cloudy Monterrey 0429 Z Mexico (MEX) 23 Nov 79 25.52 100.12 Cloudy Dodge City...230 250 270 290 - 35 35 Ii 30 30 / 25 / MONTERREY, MEXICO 25 GREEN DAY. WISCONSIN 23 NOV. 79,OOZ,0429Z 23 NOV. 79,OOZ,02 53Z - RAOS i -- RAO 20...bINDOW/ UP1NG2.INT)eDW(NG2.INT)eTHETA(t4),NU(INT)eLv(INT~e ICK~IINT).CK2(lNT).6UVERT(INI).CDVERT(INT) COMMON /MADATA/ PINIINGvINT) .PTIINT) . SEXT (INT

Laser isotope separation of erbium and other isotopes

DOEpatents

Haynam, Christopher A.; Worden, Earl F.

1995-01-01

Laser isotope separation is accomplished using at least two photoionization pathways of an isotope simultaneously, where each pathway comprises two or more transition steps. This separation method has been applied to the selective photoionization of erbium isotopes, particularly for the enrichment of .sup.167 Er. The hyperfine structure of .sup.167 Er was used to find two three-step photoionization pathways having a common upper energy level.

Development and Application of Low Energy X-Ray and Electron Physics.

DTIC Science & Technology

1981-01-01

measured and theoretical photoionization cross section data (including those measured in this laboratory). In 1975, a detailed set of tables of these...available reported (to 1980) experimental and theoretical photoionization cross section data have been compiled and reviewed particularly for the low energy...orbital dimensions, the current theoretical partial photoionization cross section calculations have been applied to yield oscillator densities which permit

The assessment of UV resources over Northern Eurasia

NASA Astrophysics Data System (ADS)

Chubarova, Natalia; Zhdanova, Yekaterina

2013-05-01

The spatial and temporal distribution of UV resources was assessed over Northern Eurasia by using RT modeling (8 stream DISORT RT code) with 1×1 degree grid and month resolution. For this purpose a special dataset of main input geophysical parameters (total ozone content, aerosol characteristics, surface UV albedo, and UV cloud modification factor) has been developed. To define the UV resources both erythemally-weighted and vitamin D irradiances were used. In order to better quantify vitamin D irradiance threshold we accounted for a body exposure fraction S as a function of surface effective temperature. The UV resources are defined by using several classes and subclasses: UV deficiency, UV optimum, and UV excess. They were evaluated for clear and typical cloudy conditions for different skin types. We show that for typical cloudy conditions in winter (January) there are only few regions in Europe at the south of Spain (southward 43°N) with conditions of UV optimum for people with skin type 2 and no such conditions for people with skin type 4. In summer (July) UV optimum for skin 2 is observed northward 63°N with a boundary biased towards higher latitudes at the east, while for skin type 4 these conditions are observed over the most territory of Northern Eurasia.

Strong Electron Correlation in Photoionization of Spin-Orbit Doublets

NASA Astrophysics Data System (ADS)

Amusia, M. Ya.; Chernsheva, L. V.; Mnason, S. T.; Msezane, A. Z.; Radojevic, V.

2002-05-01

A new and explicitly many-body aspect of the "leveraging" of the spin-orbit interaction is demonstrated, spin-orbit activated interchannel coupling, which can significantly alter the photoionization cross section of a spin-orbit doublet. As an example, using a modified version of the Spin-Polarized Random-Phase-Approximation with Exchange methodology, a recently observed structure in the photoionization of Xe 3d(A. Kivimaki et al, Phys. Rev. A 63), 012716 (2000) has been explained both qualitatively and quantitatively. The structure is entirely due to this new spin-orbit activated interchannel coupling effect, which should be a general feature of inner-shell photoionization. This work was supported by NSF, NASA, DOE and ISTC.

Dissociative and double photoionization of CO2 from threshold to 90 A

NASA Technical Reports Server (NTRS)

Masuoka, T.; Samson, J. A. R.

1979-01-01

The molecular photoionization, dissociative photoionization and double photoionization cross sections for CO2 were measured from their onsets down to 90 A by using various combinations of mass spectrometers (a coincidence time-of-flight mass spectrometer and a magnetic mass spectrometer) and light sources (synchrotron radiation, and glow and spark discharge). It is concluded that the one broad peak and the three shoulders in the total adsorption cross section curve between 640 and 90 A are caused completely by dissociative ionization processes. Several peaks observed in the cross section curve for the total fragmentation CO(+)3, O(+) and C(+) are compared with those in the photoelectron spectrum reported for CO2.

X-ray astronomy in the laboratory with a miniature compact object produced by laser-driven implosion

NASA Astrophysics Data System (ADS)

Fujioka, Shinsuke; Takabe, Hideaki; Yamamoto, Norimasa; Salzmann, David; Wang, Feilu; Nishimura, Hiroaki; Li, Yutong; Dong, Quanli; Wang, Shoujun; Zhang, Yi; Rhee, Yong-Joo; Lee, Yong-Woo; Han, Jae-Min; Tanabe, Minoru; Fujiwara, Takashi; Nakabayashi, Yuto; Zhao, Gang; Zhang, Jie; Mima, Kunioki

2009-11-01

X-ray spectroscopy is an important tool for understanding the extreme photoionization processes that drive the behaviour of non-thermal equilibrium plasmas in compact astrophysical objects such as black holes. Even so, the distance of these objects from the Earth and the inability to control or accurately ascertain the conditions that govern their behaviour makes it difficult to interpret the origin of the features in astronomical X-ray measurements. Here, we describe an experiment that uses the implosion driven by a 3TW, 4kJ laser system to produce a 0.5keV blackbody radiator that mimics the conditions that exist in the neighbourhood of a black hole. The X-ray spectra emitted from photoionized silicon plasmas resemble those observed from the binary stars Cygnus X-3 (refs 7, 8) and Vela X-1 (refs 9, 10 11) with the Chandra X-ray satellite. As well as demonstrating the ability to create extreme radiation fields in a laboratory plasma, our theoretical interpretation of these laboratory spectra contrasts starkly with the generally accepted explanation for the origin of similar features in astronomical observations. Our experimental approach offers a powerful means to test and validate the computer codes used in X-ray astronomy.

Photodissociation of anisole and absolute photoionization cross-section of the phenoxy radical.

PubMed

Xu, Hong; Pratt, S T

2013-11-21

We have studied the photodissociation dynamics of anisole (C6H5OCH3) at 193 nm and determined the absolute photoionization cross-section of the phenoxy radical at 118.2 nm (10.486 eV) relative to the known cross-section of the methyl radical. Even at this energy, there is extensive fragmentation of the phenoxy radical upon photoionization, which is attributed to ionizing transitions that populate low-lying excited electronic states of the cation. For phenoxy radicals with less than ∼1 eV of internal energy, we find a cross-section for the production of the phenoxy cation of 14.8 ± 3.8 Mb. For radicals with higher internal energy, dissociative ionization is the dominant process, and for internal energies of ∼2.7-3.7 eV, we find a total cross-section (photoionization plus dissociative ionization) of 22.3 ± 4.1 Mb. The results are discussed relative to the recently reported photoionization cross-section of phenol.

Combined corona discharge and UV photoionization source for ion mobility spectrometry.

PubMed

Bahrami, Hamed; Tabrizchi, Mahmoud

2012-08-15

An ion mobility spectrometer is described which is equipped with two non-radioactive ion sources, namely an atmospheric pressure photoionization and a corona discharge ionization source. The two sources cannot only run individually but are additionally capable of operating simultaneously. For photoionization, a UV lamp was mounted parallel to the axis of the ion mobility cell. The corona discharge electrode was mounted perpendicular to the UV radiation. The total ion current from the photoionization source was verified as a function of lamp current, sample flow rate, and drift field. Simultaneous operation of the two ionization sources was investigated by recording ion mobility spectra of selected samples. The design allows one to observe peaks from either the corona discharge or photoionization individually or simultaneously. This makes it possible to accurately compare peaks in the ion mobility spectra from each individual source. Finally, the instrument's capability for discriminating two peaks appearing in approximately identical drift times using each individual ionization source is demonstrated. Copyright © 2012 Elsevier B.V. All rights reserved.

Molecular photoionization processes of astrophysical and aeronomical interest

NASA Technical Reports Server (NTRS)

Langhoff, P. W.

1985-01-01

An account is given of aspects of photoionization processes in molecules, with particular reference to recent theoretical and experimental studies of partial cross sections for production of specific final electronic states and of parent and fragment ions. Such cross sections help provide a basis for specifying the state of excitation of the ionized medium, are useful for estimating the kinetic energy distributions of photoejected electrons and fragment ions, provide parent-and fragment-ion yields, and clarify the possible origins of neutral fragments in highly excited rovibronic states. A descriptive account is given of photoionization phenomena, including tabulation of valence- and inner-shell potentials for some molecules of astrophysical and aeronomical interest. Cross sectional expressions are given. Various approximations currently employed in computational studies are described briefly, threshold laws and high-energy limits are indicated, and distinction is drawn between resonant and direct photoionization phenomena. Recent experimental and theoretical studies of partial photoionization cross sections in selected compounds of astrophysical and aeronomical relevance are described and discussed.

Laser isotope separation of erbium and other isotopes

DOEpatents

Haynam, C.A.; Worden, E.F.

1995-08-22

Laser isotope separation is accomplished using at least two photoionization pathways of an isotope simultaneously, where each pathway comprises two or more transition steps. This separation method has been applied to the selective photoionization of erbium isotopes, particularly for the enrichment of {sup 167}Er. The hyperfine structure of {sup 167}Er was used to find two three-step photoionization pathways having a common upper energy level. 3 figs.

Lithography Radiation Effects Study.

DTIC Science & Technology

1984-11-01

Electronic Industries, 7317 South Washinqton Avenue, Edina, Minnesota 5;435, 1972) A- 2-8 15. J. H. Scofield , Theoretical Photoionization Cross Sections...exci- tation of a qiven shell is proportional to the photoionization cross-section * of the shell. Theoretical photoionization cross-sections as a...Ti (Ka = 4.51 keV), 500 A and for Cr (K. = 5.41 keV), 580 A. Comparison of these data with existing theoretical models were not carried out. The

Dissociative Photoionization of the Elusive Vinoxy Radical.

PubMed

Adams, Jonathan D; Scrape, Preston G; Lee, Shih-Huang; Butler, Laurie J

2017-08-24

These experiments report the dissociative photoionization of vinoxy radicals to m/z = 15 and 29. In a crossed laser-molecular beam scattering apparatus, we induce C-Cl bond fission in 2-chloroacetaldehyde by photoexcitation at 157 nm. Our velocity measurements, combined with conservation of angular momentum, show that 21% of the C-Cl photofission events form vinoxy radicals that are stable to subsequent dissociation to CH 3 + CO or H + ketene. Photoionization of these stable vinoxy radicals, identified by their velocities, which are momentum-matched with the higher-kinetic-energy Cl atom photofragments, shows that the vinoxy radicals dissociatively photoionize to give signal at m/z = 15 and 29. We calibrated the partial photoionization cross section of vinoxy to CH 3 + relative to the bandwidth-averaged photoionization cross section of the Cl atom at 13.68 eV to put the partial photoionization cross sections on an absolute scale. The resulting bandwidth-averaged partial cross sections are 0.63 and 1.3 Mb at 10.5 and 11.44 eV, respectively. These values are consistent with the upper limit to the cross section estimated from a study by Savee et al. on the O( 3 P) + propene bimolecular reaction. We note that the uncertainty in these values is primarily dependent on the signal attributed to C-Cl primary photofission in the m/z = 35 (Cl + ) time-of-flight data. While the value is a rough estimate, the bandwidth-averaged partial photoionization cross section of vinoxy to HCO + calculated from the signal at m/z = 29 at 11.53 eV is approximately half that of vinoxy to CH 3 + . We also present critical points on the potential energy surface of the vinoxy cation calculated at the G4//B3LYP/6-311++G(3df,2p) level of theory to support the observation of dissociative ionization of vinoxy to both CH 3 + and HCO + .

Photoionization dynamics of ammonia (B(1)E''): dependence on ionizing photon energy and initial vibrational level.

PubMed

Hockett, Paul; Staniforth, Michael; Reid, Katharine L

2010-10-28

In this article we present photoelectron spectra and angular distributions in which ion rotational states are resolved. This data enables the comparison of direct and threshold photoionization techniques. We also present angle-resolved photoelectron signals at different total energies, providing a method to scan the structure of the continuum in the near-threshold region. Finally, we have studied the influence of vibrational excitation on the photoionization dynamics.

xLIPA: Promotion of Electrons from the K-shell to 2 GeV using 10 PW Laser Pulses

DTIC Science & Technology

2015-08-19

field [34]. Since then numerous analytical and numerical approaches have been employed with special emphasis on laser photoionization . Besides interest in... photoionization as a fundamental physical process there are many applications for photoelectrons. Knowledge of the electron properties, e.g., energy...Schwinger field. Photoionization of inner-shell electrons in high-Z atoms is another example where relativistic effects are important. Two analytical

Rapid Quasirelativistic and Relativistic Calculations of Atomic Data for Plasma Modeling

DTIC Science & Technology

1991-08-20

slightly more complicated formula apply when mixing is included outside a complex. It is also noted that similar expressions apply for photoionization ...simplification an the appropriate formula 2 for ionization is even somewhat greater. Moreover, similar siml:’- formulae apply for photoionization and for semi...like that given in the appendix of Ref. 18, one finds that Eq. (35) also applies for photoionization if the collisional ionization cross sections on

K-shell Photoionization of Na-like to Cl-like Ions of Mg, Si, S, Ar, and Ca

NASA Technical Reports Server (NTRS)

Witthoeft, M. C.; Garcia, J.; Kallman, T. R.; Bautista, M. A.; Mendoza, C.; Palmeri, P.; Quinet, P.

2010-01-01

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of Mg, Si, S, Ar, and Ca ions with more than 10 electrons. The calculations include the effects of radiative and Auger damping by means of an optical potential. The wave functions are constructed from single-electron. orbital bases obtained using a Thomas-Fermi-Dirac statistical model potential. Configuration interaction is considered among all states up to n = 3. The damping processes affect the resonances converging to the K-thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

Vacuum ultraviolet photofragmentation of octadecane: photoionization mass spectrometric and theoretical investigation.

PubMed

Xu, Jing; Sang, Pengpeng; Zhao, Lianming; Guo, Wenyue; Qi, Fei; Xing, Wei; Yan, Zifeng

The photoionization and fragmentation of octadecane were investigated with infrared laser desorption/tunable synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (IRLD/VUV PIMS) and theoretical calculations. Mass spectra of octadecane were measured at various photon energies. The fragment ions were gradually detected with the increase of photon energy. The main fragment ions were assigned to radical ions (C n H 2 n +1 + , n  = 4-11) and alkene ions (C n H 2 n + , n  = 5-10). The ionization energy of the precursor and appearance energy of ionic fragments were obtained by measuring the photoionization efficiency spectrum. Possible formation pathways of the fragment ions were discussed with the help of density functional theory calculations.

Absolute photoionization cross sections of furanic fuels: 2-ethylfuran, 2-acetylfuran and furfural.

PubMed

Smith, Audrey R; Meloni, Giovanni

2015-11-01

Absolute photoionization cross sections of the molecules 2-ethylfuran, 2-acetylfuran and furfural, including partial ionization cross sections for the dissociative ionized fragments, are measured for the first time. These measurements are important because they allow fuel quantification via photoionization mass spectrometry and the development of quantitative kinetic modeling for the complex combustion of potential fuels. The experiments are carried out using synchrotron photoionization mass spectrometry with an orthogonal time-of-flight spectrometer used for mass analysis at the Advanced Light Source of Lawrence Berkeley National Laboratory. The CBS-QB3 calculations of adiabatic ionization energies and appearance energies agree well with the experimental results. Several bond dissociation energies are also derived and presented. Copyright © 2015 John Wiley & Sons, Ltd.

Multiple ionization of neon by soft x-rays at ultrahigh intensity

NASA Astrophysics Data System (ADS)

Guichard, R.; Richter, M.; Rost, J.-M.; Saalmann, U.; Sorokin, A. A.; Tiedtke, K.

2013-08-01

At the free-electron laser FLASH, multiple ionization of neon atoms was quantitatively investigated at photon energies of 93.0 and 90.5 eV. For ion charge states up to 6+, we compare the respective absolute photoionization yields with results from a minimal model and an elaborate description including standard sequential and direct photoionization channels. Both approaches are based on rate equations and take into account a Gaussian spatial intensity distribution of the laser beam. From the comparison we conclude that photoionization up to a charge of 5+ can be described by the minimal model which we interpret as sequential photoionization assisted by electron shake-up processes. For higher charges, the experimental ionization yields systematically exceed the elaborate rate-based prediction.

Overlap Properties of Clouds Generated by a Cloud Resolving Model

NASA Technical Reports Server (NTRS)

Oreopoulos, L.; Khairoutdinov, M.

2002-01-01

In order for General Circulation Models (GCMs), one of our most important tools to predict future climate, to correctly describe the propagation of solar and thermal radiation through the cloudy atmosphere a realistic description of the vertical distribution of cloud amount is needed. Actually, one needs not only the cloud amounts at different levels of the atmosphere, but also how these cloud amounts are related, in other words, how they overlap. Currently GCMs make some idealized assumptions about cloud overlap, for example that contiguous cloud layers overlap maximally and non-contiguous cloud layers overlap in a random fashion. Since there are difficulties in obtaining the vertical profile of cloud amount from observations, the realism of the overlap assumptions made in GCMs has not been yet rigorously investigated. Recently however, cloud observations from a relatively new type of ground radar have been used to examine the vertical distribution of cloudiness. These observations suggest that the GCM overlap assumptions are dubious. Our study uses cloud fields from sophisticated models dedicated to simulate cloud formation, maintenance, and dissipation called Cloud Resolving Models . These models are generally considered capable of producing realistic three-dimensional representation of cloudiness. Using numerous cloud fields produced by such a CRM we show that the degree of overlap between cloud layers is a function of their separation distance, and is in general described by a combination of the maximum and random overlap assumption, with random overlap dominating as separation distances increase. We show that it is possible to parameterize this behavior in a way that can eventually be incorporated in GCMs. Our results seem to have a significant resemblance to the results from the radar observations despite the completely different nature of the datasets. This consistency is encouraging and will promote development of new radiative transfer codes that will estimate the radiation effects of multi-layer cloud fields more accurately.

Observed Spectral Invariant Behavior of Zenith Radiance in the Transition Zone Between Cloud-Free and Cloudy Regions

NASA Technical Reports Server (NTRS)

Marshak, A.; Knyazikhin, Y.; Chiu, C.; Wiscombe, W.

2010-01-01

The Atmospheric Radiation Measurement Program's (ARM) new Shortwave Spectrometer (SWS) looks straight up and measures zenith radiance at 418 wavelengths between 350 and 2200 nm. Because of its 1-sec sampling resolution, the SWS provides a unique capability to study the transition zone between cloudy and clear sky areas. A surprising spectral invariant behavior is found between ratios of zenith radiance spectra during the transition from cloudy to cloud-free atmosphere. This behavior suggests that the spectral signature of the transition zone is a linear mixture between the two extremes (definitely cloudy and definitely clear). The weighting function of the linear mixture is found to be a wavelength-independent characteristic of the transition zone. It is shown that the transition zone spectrum is fully determined by this function and zenith radiance spectra of clear and cloudy regions. This new finding may help us to better understand and quantify such physical phenomena as humidification of aerosols in the relatively moist cloud environment and evaporation and activation of cloud droplets.

Kinetic modeling of x-ray laser-driven solid Al plasmas via particle-in-cell simulation

NASA Astrophysics Data System (ADS)

Royle, R.; Sentoku, Y.; Mancini, R. C.; Paraschiv, I.; Johzaki, T.

2017-06-01

Solid-density plasmas driven by intense x-ray free-electron laser (XFEL) radiation are seeded by sources of nonthermal photoelectrons and Auger electrons that ionize and heat the target via collisions. Simulation codes that are commonly used to model such plasmas, such as collisional-radiative (CR) codes, typically assume a Maxwellian distribution and thus instantaneous thermalization of the source electrons. In this study, we present a detailed description and initial applications of a collisional particle-in-cell code, picls, that has been extended with a self-consistent radiation transport model and Monte Carlo models for photoionization and K L L Auger ionization, enabling the fully kinetic simulation of XFEL-driven plasmas. The code is used to simulate two experiments previously performed at the Linac Coherent Light Source investigating XFEL-driven solid-density Al plasmas. It is shown that picls-simulated pulse transmissions using the Ecker-Kröll continuum-lowering model agree much better with measurements than do simulations using the Stewart-Pyatt model. Good quantitative agreement is also found between the time-dependent picls results and those of analogous simulations by the CR code scfly, which was used in the analysis of the experiments to accurately reproduce the observed K α emissions and pulse transmissions. Finally, it is shown that the effects of the nonthermal electrons are negligible for the conditions of the particular experiments under investigation.

Analysis of Co-spatial UV-optical HST/STIS Spectra of Planetary Nebula NGC 3242

NASA Astrophysics Data System (ADS)

Miller, Timothy R.; Henry, Richard B. C.; Balick, Bruce; Kwitter, Karen B.; Dufour, Reginald J.; Shaw, Richard A.; Corradi, Romano L. M.

2016-10-01

This project sought to consider two important aspects of the planetary nebula NGC 3242 using new long-slit HST/STIS spectra. First, we investigated whether this object is chemically homogeneous by spatially dividing the slit into different regions and calculating the abundances of each region. The major result is that the elements of He, C, O, and Ne are chemically homogeneous within uncertainties across the regions probed, implying that the stellar outflow was well-mixed. Second, we constrained the stellar properties using photoionization models computed by CLOUDY and tested the effects of three different density profiles on these parameters. The three profiles tested were a constant density profile, a Gaussian density profile, and a Gaussian with a power-law density profile. The temperature and luminosity were not affected significantly by the choice of density structure. The values for the stellar temperature and luminosity from our best-fit model are {89.7}-4.7+7.3 kK and log(L/L ⊙) = {3.36}-0.22+0.28, respectively. Comparing to evolutionary models on an HR diagram, this corresponds to an initial and final mass of {0.95}-0.09+0.35{M}⊙ and {0.56}-0.01+0.01{M}⊙ , respectively. Based on observations with the NASA/ESA Hubble Space Telescope obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Incorporated, under NASA contract NAS5-26555.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jaskot, A. E.; Ravindranath, S.

The increasing neutrality of the intergalactic medium at z  > 6 suppresses Ly α emission, and spectroscopic confirmation of galaxy redshifts requires the detection of alternative ultraviolet lines. The strong [C iii]  λ 1907+C iii]  λ 1909 doublet frequently observed in low-metallicity, actively star-forming galaxies is a promising emission feature. We present CLOUDY photoionization model predictions for C iii] equivalent widths (EWs) and line ratios as a function of starburst age, metallicity, and ionization parameter. Our models include a range of C/O abundances, dust content, and gas density. We also examine the effects of varying the nebular geometry and optical depth. Onlymore » the stellar models that incorporate binary interaction effects reproduce the highest observed C iii] EWs. The spectral energy distributions from the binary stellar population models also generate observable C iii] over a longer timescale relative to single-star models. We show that diagnostics using C iii] and nebular He ii  λ 1640 can separate star-forming regions from shock-ionized gas. We also find that density-bounded systems should exhibit weaker C iii] EWs at a given ionization parameter, and C iii] EWs could, therefore, select candidate Lyman continuum-leaking systems. In almost all models, C iii] is the next strongest line at <2700 Å after Ly α , and C iii] reaches detectable levels for a wide range of conditions at low metallicity. C iii] may therefore serve as an important diagnostic for characterizing galaxies at z  > 6.« less

Active Galactic Nuclei, Host Star Formation, and the Far Infrared

NASA Astrophysics Data System (ADS)

Draper, Aden R.; Ballantyne, D. R.

2011-05-01

Telescopes like Herschel and the Atacama Large Millimeter/submillimeter Array (ALMA) are creating new opportunities to study sources in the far infrared (FIR), a wavelength region dominated by cold dust emission. Probing cold dust in active galaxies allows for study of the star formation history of active galactic nuclei (AGN) hosts. The FIR is also an important spectral region for observing AGN which are heavily enshrouded by dust, such as Compton thick (CT) AGN. By using information from deep X-ray surveys and cosmic X-ray background synthesis models, we compute Cloudy photoionization simulations which are used to predict the spectral energy distribution (SED) of AGN in the FIR. Expected differential number counts of AGN and their host galaxies are calculated in the Herschel bands. The expected contribution of AGN and their hosts to the cosmic infrared background (CIRB) is also computed. Multiple star formation scenarios are investigated using a modified blackbody star formation SED. It is found that FIR observations at 350 and 500 um are an excellent tool in determining the star formation history of AGN hosts. Additionally, the AGN contribution to the CIRB can be used to determine whether star formation in AGN hosts evolves differently than in normal galaxies. AGN and host differential number counts are dominated by CT AGN in the Herschel-SPIRE bands. Therefore, X-ray stacking of bright SPIRE sources is likely to disclose a large fraction of the CT AGN population.

Properties and Expected Number Counts of Active Galactic Nuclei and Their Hosts in the Far-infrared

NASA Astrophysics Data System (ADS)

Draper, A. R.; Ballantyne, D. R.

2011-03-01

Telescopes like Herschel and the Atacama Large Millimeter/submillimeter Array (ALMA) are creating new opportunities to study sources in the far-infrared (FIR), a wavelength region dominated by cold dust emission. Probing cold dust in active galaxies allows for study of the star formation history of active galactic nucleus (AGN) hosts. The FIR is also an important spectral region for observing AGNs which are heavily enshrouded by dust, such as Compton thick (CT) AGNs. By using information from deep X-ray surveys and cosmic X-ray background synthesis models, we compute Cloudy photoionization simulations which are used to predict the spectral energy distribution (SED) of AGNs in the FIR. Expected differential number counts of AGNs and their host galaxies are calculated in the Herschel bands. The expected contribution of AGNs and their hosts to the cosmic infrared background (CIRB) and the infrared luminosity density are also computed. Multiple star formation scenarios are investigated using a modified blackbody star formation SED. It is found that FIR observations at ~500 μm are an excellent tool in determining the star formation history of AGN hosts. Additionally, the AGN contribution to the CIRB can be used to determine whether star formation in AGN hosts evolves differently than in normal galaxies. The contribution of CT AGNs to the bright end differential number counts and to the bright source infrared luminosity density is a good test of AGN evolution models where quasars are triggered by major mergers.

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

NASA Technical Reports Server (NTRS)

Gatuzz, E.; Garcia, J.; Menodza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

2013-01-01

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra towards the X-ray low-mass binary XTE J1817-330. The 11-25 A broadband is described with a simple absorption model that takes into account the pileup effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 A) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain: a column density of N(sub H) = 1.38 +/- 0.01 x 10(exp 21) cm(exp -2); ionization parameter of log xi = .2.70 +/- 0.023; oxygen abundance of A(sub O) = 0.689(exp +0.015./-0.010); and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval (1998), a rescaling with the revision by Asplund et al. (2009) yields A(sub O) = 0.952(exp +0.020/-0.013, a value close to solar that reinforces the new standard. We identify several atomic absorption lines.K-alpha , K-beta, and K-gamma in O I and O II; and K-alpha in O III, O VI, and O VII--last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated to ISM cold absorption.

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:. [The Chandra Grating Spectra of XTE J1817-330

NASA Technical Reports Server (NTRS)

Gatuzz, E.; Garcia, J.; Mendoza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

2013-01-01

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp -2); an ionization parameter of log xi = -2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/-0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/-0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

Molecular alignment dependent electron interference in attosecond ultraviolet photoionization

PubMed Central

Yuan, Kai-Jun; Bandrauk, André D.

2015-01-01

We present molecular photoionization processes by intense attosecond ultraviolet laser pulses from numerical solutions of time-dependent Schrödinger equations. Simulations preformed on a single electron diatomic H2+ show minima in molecular photoelectron energy spectra resulting from two center interference effects which depend strongly on molecular alignment. We attribute such sensitivity to the spatial orientation asymmetry of the photoionization process from the two nuclei. A similar influence on photoelectron kinetic energies is also presented. PMID:26798785

High-resolution study of the prominent near-threshold resonances in the Ar 3s-electron photoionization

NASA Astrophysics Data System (ADS)

Lauer, S.; Liebel, H.; Vollweiler, F.; Schmoranzer, H.; Reichardt, G.; Wilhelmi, O.; Mentzel, G.; Schartner, K.-H.; Sukhorukov, V. L.; Lagutin, B. M.; Petrov, I. D.; Demekhin, Ph. V.

1998-10-01

The absolute Ar 3s-electron photoionization cross section was measured in the exciting-photon energy range from 30.65 to 31.75 eV by photon-induced fluorescence spectroscopy (PIFS). The bandwidth of the exciting synchrotron radiation was 4.8 meV. The profiles of the resonances observed in the Ar 3s-electron photoionization were compared with the profiles of the resonances in the total photoabsorption.

Absorption and dissociative photoionization cross sections of NH3 from 80 to 1120 A

NASA Technical Reports Server (NTRS)

Samson, James A. R.; Haddad, G. N.; Kilcoyne, L. D.

1987-01-01

The total absorption, photoionization, and dissociative photoionization cross sections of ammonia have been measured from 80 to 1120 A. All possible fragment ions have been observed including doubly ionized ammonia. The absolute ionization efficiencies have also been measured in this spectral range. The appearance potentials of the fragment ions have been measured and are compared with the calculated appearance potentials derived from published heats of formation and ionization potentials of the fragments.

Dissociative and double photoionization cross sections of NO from threshold to 120 A

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Masuoka, T.; Pareek, P. N.

1985-01-01

The partial photoionization cross sections for producing the NO(+) parent ion and the O(+), N(+), and NO(2+) fragmentations from neutral NO are presented from 120 to 614 A. The results indicate predissociation of the 3 pi (21.72 eV) and B-prime 1Sigma(+) (22.73 eV) electronic states of NO(+). The photoionization threshold for double ionization was found to be 39.4 + or - 0.12 eV.

Photoionization studies with molecular beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ng, C.Y.

1976-09-01

A molecular beam photoionization apparatus which combines the advantages of both the molecular beam method with photoionization mass spectrometry has been designed and constructed for carrying out some unique photoionization experiments. Rotational cooling during the supersonic expansion has resulted in high resolution photoionization efficiency curves for NO, ICl, C/sub 2/H/sub 2/ and CH/sub 3/I. The analysis of these spectra has yielded ionization potentials for these molecules to an accuracy of +- 3 MeV. Detailed autoionization structures were also resolved. This allows the investigation of the selection rules for autoionization, and the identification of the Rydberg series which converge to themore » excited states of the molecular ions. The degree of relaxation for thermally populated excited states has been examined using NO and ICl as examples. As a result of adiabatic cooling, a small percentage of dimers is also formed during the expansion. The photoionization efficiency curves for (NO)/sub 2/, ArICl, Ar/sub 2/, Kr/sub 2/ and Xe/sub 2/ have been obtained near the thresholds. Using the known dissociation energies of the (NO)/sub 2/, Ar/sub 2/, Kr/sub 2/ and Xe/sub 2/ van der Waals molecules, the corresponding dissociation energies for NO-NO/sup +/, Ar/sub 2//sup +/, Kr/sub 2//sup +/, and Xe/sub 2//sup +/ have been determined. The ionization mechanisms for this class of molecules are examined and discussed.« less

On the absolute photoionization cross section and dissociative photoionization of cyclopropenylidene.

PubMed

Holzmeier, Fabian; Fischer, Ingo; Kiendl, Benjamin; Krueger, Anke; Bodi, Andras; Hemberger, Patrick

2016-04-07

We report the determination of the absolute photoionization cross section of cyclopropenylidene, c-C3H2, and the heat of formation of the C3H radical and ion derived by the dissociative ionization of the carbene. Vacuum ultraviolet (VUV) synchrotron radiation as provided by the Swiss Light Source and imaging photoelectron photoion coincidence (iPEPICO) were employed. Cyclopropenylidene was generated by pyrolysis of a quadricyclane precursor in a 1 : 1 ratio with benzene, which enabled us to derive the carbene's near threshold absolute photoionization cross section from the photoionization yield of the two pyrolysis products and the known cross section of benzene. The cross section at 9.5 eV, for example, was determined to be 4.5 ± 1.4 Mb. Upon dissociative ionization the carbene decomposes by hydrogen atom loss to the linear isomer of C3H(+). The appearance energy for this process was determined to be AE(0K)(c-C3H2; l-C3H(+)) = 13.67 ± 0.10 eV. The heat of formation of neutral and cationic C3H was derived from this value via a thermochemical cycle as Δ(f)H(0K)(C3H) = 725 ± 25 kJ mol(-1) and Δ(f)H(0K)(C3H(+)) = 1604 ± 19 kJ mol(-1), using a previously reported ionization energy of C3H.

Characterization of combustion-generated carbonaceous nanoparticles by size-dependent ultraviolet laser photoionization.

PubMed

Commodo, Mario; Sgro, Lee Anne; Minutolo, Patrizia; D'Anna, Andrea

2013-05-16

Photoelectric charging of particles is a powerful tool for online characterization of submicrometer aerosol particles. Indeed photoionization based techniques have high sensitivity and chemical selectivity. Moreover, they yield information on electronic properties of the material and are sensitive to the state of the surface. In the present study the photoionization charging efficiency, i.e., the ratio between the generated positive ions and the corresponding neutral ones, for different classes of flame-generated carbonaceous nanoparticles was measured. The fifth harmonics of a Nd:YAG laser, 213 nm (5.82 eV), was used as an ionization source for the combustion generated nanoparticles, whereas a differential mobility analyzer (DMA) coupled to a Faraday cup electrometer was used for particle classification and detection. Carbonaceous nanoparticles in the nucleation mode, i.e., sizes ranging from 1 to 10 nm, show a photoionization charging efficiency clearly dependent on the flame conditions. In particular, we observed that the richer the flame is, i.e., the higher the equivalent ratio is, the higher the photon charging efficiency is. We hypothesized that such an increase in the photoionization propensity of the carbonaceous nanoparticles from richer flame condition is associated to the presence within the particles of larger aromatic moieties. The results clearly show that photoionization is a powerful diagnostic tool for the physical-chemical characterization of combustion aerosol, and it may lead to further insights into the soot formation mechanism.

Vacuum ultraviolet photoionization cross section of the hydroxyl radical.

PubMed

Dodson, Leah G; Savee, John D; Gozem, Samer; Shen, Linhan; Krylov, Anna I; Taatjes, Craig A; Osborn, David L; Okumura, Mitchio

2018-05-14

The absolute photoionization spectrum of the hydroxyl (OH) radical from 12.513 to 14.213 eV was measured by multiplexed photoionization mass spectrometry with time-resolved radical kinetics. Tunable vacuum ultraviolet (VUV) synchrotron radiation was generated at the Advanced Light Source. OH radicals were generated from the reaction of O( 1 D) + H 2 O in a flow reactor in He at 8 Torr. The initial O( 1 D) concentration, where the atom was formed by pulsed laser photolysis of ozone, was determined from the measured depletion of a known concentration of ozone. Concentrations of OH and O( 3 P) were obtained by fitting observed time traces with a kinetics model constructed with literature rate coefficients. The absolute cross section of OH was determined to be σ(13.436 eV) = 3.2 ± 1.0 Mb and σ(14.193 eV) = 4.7 ± 1.6 Mb relative to the known cross section for O( 3 P) at 14.193 eV. The absolute photoionization spectrum was obtained by recording a spectrum at a resolution of 8 meV (50 meV steps) and scaling to the single-energy cross sections. We computed the absolute VUV photoionization spectrum of OH and O( 3 P) using equation-of-motion coupled-cluster Dyson orbitals and a Coulomb photoelectron wave function and found good agreement with the observed absolute photoionization spectra.

Vacuum ultraviolet photoionization cross section of the hydroxyl radical

NASA Astrophysics Data System (ADS)

Dodson, Leah G.; Savee, John D.; Gozem, Samer; Shen, Linhan; Krylov, Anna I.; Taatjes, Craig A.; Osborn, David L.; Okumura, Mitchio

2018-05-01

The absolute photoionization spectrum of the hydroxyl (OH) radical from 12.513 to 14.213 eV was measured by multiplexed photoionization mass spectrometry with time-resolved radical kinetics. Tunable vacuum ultraviolet (VUV) synchrotron radiation was generated at the Advanced Light Source. OH radicals were generated from the reaction of O(1D) + H2O in a flow reactor in He at 8 Torr. The initial O(1D) concentration, where the atom was formed by pulsed laser photolysis of ozone, was determined from the measured depletion of a known concentration of ozone. Concentrations of OH and O(3P) were obtained by fitting observed time traces with a kinetics model constructed with literature rate coefficients. The absolute cross section of OH was determined to be σ(13.436 eV) = 3.2 ± 1.0 Mb and σ(14.193 eV) = 4.7 ± 1.6 Mb relative to the known cross section for O(3P) at 14.193 eV. The absolute photoionization spectrum was obtained by recording a spectrum at a resolution of 8 meV (50 meV steps) and scaling to the single-energy cross sections. We computed the absolute VUV photoionization spectrum of OH and O(3P) using equation-of-motion coupled-cluster Dyson orbitals and a Coulomb photoelectron wave function and found good agreement with the observed absolute photoionization spectra.

Probing Radiation Pressure and Hot Gas Feedback through Spectral Simulation of Mid-IR to Submillimeter Fine-Structure Lines in Ultraluminous Infrared Galaxies

NASA Astrophysics Data System (ADS)

Fischer, Jacqueline

Recent observational studies have shown that the deeply buried phase found in local ultraluminous infrared galaxies (ULIRGs) is often characterized by powerful feedback thought to be an important mechanism involved in the transformation of gas-rich mergers into gas-poor red and dead galaxies. Based on Herschel studies of multilevel OH transitions in ULIRGs, we have shown that many of the molecular outflows are driven by a combination of an active galactic nucleus (AGN) and a nuclear starburst, as a result of radiation pressure, winds, and supernova remnants. In some sources, however, powerful AGN feedback is required in which the pressure supplied by radiation alone appears insufficient to supply the large outflow momentum fluxes. These outflows appear to be stochastic, strong AGN feedback events that occur throughout the merging process and may involve forces due to hot gas pressure in order to supply the needed momentum fluxes. Numerous theoretical studies have shown that the ratio of the ionizing photon number density to the particle density, commonly denoted as the ionization parameter, is an important diagnostic of the relative dynamical importance of radiation pressure and hot gas pressure in quasar and starburst feedback in galaxies. In optically selected quasars, measured ionization parameters indicate that the current average hot gas pressures are insufficient to power the observed outflows, and optical depths of the AGN radiation are not expected to be high enough to provide the necessary momentum boosts. It has been suggested, however, that during the buried stage of quasar and host galaxy evolution exemplified by ULIRGs, the hot gas pressures could be higher, prior to the development of leaky paths from which the gas can escape, and that infrared fine-structure lines can be used to probe and test this mechanism. The goal of this work is to further our understanding of this phase of galactic evolution by assembling and analyzing the highest quality observations from Spitzer IRS, Herschel PACS, and Herschel SPIRE that heretofore have never been analyzed together in a comprehensive fashion. The publically available Cloudy spectral synthesis code includes photoionization physics, as well as the physics of the transition regions between HII regions and molecular clouds (photodissociation regions (PDRs) and X-ray dominated regions (XDRs) existing beyond the hot ionized centers of AGNs and the cold conditions in molecular clouds. In previous work using Cloudy, we modeled the far-infrared spectra in a sample of the 10 brightest galaxies at 60 microns with infrared luminosities greater than 10^10 Lsol. We showed that both high ionization parameters and high far-infrared optical depths are necessary to explain the far-infrared line deficits found in the only ULIRG in that sample. Here we propose to further develop these models and to apply them for the first time to the full set of available mid-IR, far-IR, and submillimeter spectroscopic observations of 20 ULIRGs and a small comparison sample of LIRGs in the Spitzer and Herschel Archives with multilevel OH observations. With the constraints provided by the numerous mid-IR through submillimeter fine-structure line diagnostics for each galaxy we will evaluate the relative dynamical importance of radiation pressure and hot gas pressure during this pivotal stage of galaxy evolution, and will determine which of these mechanisms is responsible for the momentum fluxes we derived from the multilevel OH Herschel observations of galaxies with powerful molecular outflows.

Detection of significant differences between absorption spectra of neutral helium and low temperature photoionized helium plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bartnik, A.; Wachulak, P.; Fiedorowicz, H.

2013-11-15

In this work, spectral investigations of photoionized He plasmas were performed. The photoionized plasmas were created by irradiation of helium stream, with intense pulses from laser-plasma extreme ultraviolet (EUV) source. The EUV source was based on a double-stream Xe/Ne gas-puff target irradiated with 10 ns/10 J Nd:YAG laser pulses. The most intense emission from the source spanned a relatively narrow spectral region below 20 nm, however, spectrally integrated intensity at longer wavelengths was also significant. The EUV radiation was focused onto a gas stream, injected into a vacuum chamber synchronously with the EUV pulse. The long-wavelength part of the EUVmore » radiation was used for backlighting of the photoionized plasmas to obtain absorption spectra. Both emission and absorption spectra in the EUV range were investigated. Significant differences between absorption spectra acquired for neutral helium and low temperature photoionized plasmas were demonstrated for the first time. Strong increase of intensities and spectral widths of absorption lines, together with a red shift of the K-edge, was shown.« less

Photo-ionization cross-section of donor-related in (In,Ga)N/GaN core/shell under hydrostatic pressure and electric field effects

NASA Astrophysics Data System (ADS)

El Ghazi, Haddou; John Peter, A.

2017-04-01

Hydrogenic-like donor-impurity related self and induced polarizations, bending energy and photo-ionization cross section in spherical core/shell zinc blende (In,Ga)N/GaN are computed. Based on the variational approach and within effective-mass and one parabolic approximations, the calculations are made under finite potential barrier taking into account of the discontinuity of the effective-mass and the constant dielectric. The photo-ionization cross section is studied according to the photon incident energy considering the effects of hydrostatic pressure, applied electric field, structure's radius, impurity's position and indium composition in the core. It is obtained that the influences mentioned above lead to either blue shifts or redshifts of the resonant peak of the photo-ionization cross section spectrum. The unusual behavior related to the structure radius is discussed which is as a consequence of the finite potential confinement. We have shown that the photo-ionization cross section can be controlled with adjusting the internal and external factors. These properties can be useful for producing some device applications such as quantum dot infrared photodetectors.

Tabletop Femtosecond VUV Photoionization and PEPICO Detection of Microreactor Pyrolysis Products.

PubMed

Couch, David E; Buckingham, Grant T; Baraban, Joshua H; Porterfield, Jessica P; Wooldridge, Laura A; Ellison, G Barney; Kapteyn, Henry C; Murnane, Margaret M; Peters, William K

2017-07-20

We report the combination of tabletop vacuum ultraviolet photoionization with photoion-photoelectron coincidence spectroscopy for sensitive, isomer-specific detection of nascent products from a pyrolysis microreactor. Results on several molecules demonstrate two essential capabilities that are very straightforward to implement: the ability to differentiate isomers and the ability to distinguish thermal products from dissociative ionization. Here, vacuum ultraviolet light is derived from a commercial tabletop femtosecond laser system, allowing data to be collected at 10 kHz; this high repetition rate is critical for coincidence techniques. The photoion-photoelectron coincidence spectrometer uses the momentum of the ion to identify dissociative ionization events and coincidence techniques to provide a photoelectron spectrum specific to each mass, which is used to distinguish different isomers. We have used this spectrometer to detect the pyrolysis products that result from the thermal cracking of acetaldehyde, cyclohexene, and 2-butanol. The photoion-photoelectron spectrometer can detect and identify organic radicals and reactive intermediates that result from pyrolysis. Direct comparison of laboratory and synchrotron data illustrates the advantages and potential of this approach.

Electron spin resonance and electron spin echo modulation studies of N,N,N prime ,N prime -tetramethylbenzidine photoionization adsorbed at the interface of polymeric latices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baglioni, P.; Rivara-Minten, E.; Kevan, L.

1989-02-23

Electron spin resonance (ESR) and electron spin echo modulation (ESEM) of photoionized N,N,N{prime},N{prime}-tetramethylbenzidine (TMB) cation adsorbed at the interface of butadiene-acrylonitrile-methacrylic acid and butadiene-styrene-acrylic acid polymeric latices have been studied as a function of sodium dodecyl sulfate (SDS) concentration adsorbed at the latex interface. The photoionization yield of TMB in frozen latices mainly depends on the strength of TMB{sup +}-water interactions, which are enhanced by added SDS as measured by ESEM. An increase in the negative surface potential of the latex particles, due to the adsorption of SDS at the latex surface, does not affect the photoionization yield, showing thatmore » the particle surface potential has, for negatively charged systems, a secondary role in promoting the photoionization yield. Differences in the TMB{sup +} yield are found for the two polymeric latices and are attributed to the different latex compositions and/or different interfacial structures.« less

Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for Modeling X-Ray Photoionized Cosmic Plasmas

NASA Technical Reports Server (NTRS)

Savin, D. W.; Gwinner, G.; Schwalm, D.; Wolf, A.; Mueller, A.; Schippers, S.

2002-01-01

Low temperature dielectronic recombination (DR) is the dominant recombination mechanism for most ions in X-ray photoionized cosmic plasmas. Reliably modeling and interpreting spectra from these plasmas requires accurate low temperature DR rate Coefficients. Of particular importance are the DR rate coefficients for the iron L-shell ions (Fe XVII-Fe XXIV). These ions are predicted to play an important role in determining the thermal structure and line emission of X-ray photoionized plasmas, which form in the media surrounding accretion powered sources such as X-ray binaries (XRBs), active galactic nuclei (AGN), and cataclysmic variables (Savin et al., 2000). The need for reliable DR data of iron L-shell ions has become particularly urgent after the launches of Chandra and XMM-Newton. These satellites are now providing high-resolution X-ray spectra from a wide range of X-ray photoionized sources. Interpreting the spectra from these sources requires reliable DR rate coefficients. However, at the temperatures relevant, for X-ray photoionized plasmas, existing theoretical DR rate coefficients can differ from one another by factors of two to orders of magnitudes.

Real-time monitoring of trace-level VOCs by an ultrasensitive lamp-based VUV photoionization mass spectrometer

NASA Astrophysics Data System (ADS)

Sun, W. Q.; Shu, J. N.; Zhang, P.; Li, Z.; Li, N. N.; Liang, M.; Yang, B.

2015-11-01

In this study, we report on the development of a lamp-based vacuum ultraviolet photoionization mass spectrometer (VUV-PIMS) in our laboratory; it is composed of a radio-frequency-powered VUV lamp, a VUV photoionizer, an ion-migration lens assembly, and a reflection time-of-flight mass spectrometer. By utilizing the novel photoionizer consisting of a photoionization cavity and a VUV light baffle, the baselines of the mass spectra decreased from 263.6 ± 15.7 counts to 4.1 ± 1.8 counts. A detection limit (2σ) of 3 pptv was achieved for benzene after an acquisition time of 10 s. To examine its potential for real-time monitoring applications of samples, the developed VUV-PIMS was employed for the continuous measurement of urban air for 6 days in Beijing, China. Strong signals of trace-level volatile organic compounds, such as benzene and its alkylated derivatives, were observed in the mass spectra. These initial experimental results reveal that the instrument can be used for the online monitoring of trace-level species in the atmosphere.

Absolute Total Photoionization Cross Section of C60 in the Range of 25-120 eV: Revisited

NASA Astrophysics Data System (ADS)

Kafle, Bhim P.; Katayanagi, Hideki; Prodhan, Md. Serajul I.; Yagi, Hajime; Huang, Chaoqun; Mitsuke, Koichiro

2008-01-01

The absolute total photoionization cross section σabs,I of gaseous C60 is measured in the photon energy hν range from 25 to 120 eV by photoionization mass spectrometry with synchrotron radiation. The absolute detection efficiencies of photoions in different charge states are evaluated. The present σabs,I curve is combined with the photoabsorption cross section curves of C60 at hν=3.5--26 eV in the literature, after appropriate alterations of the vapor pressure are taken into account. The oscillator strengths are computed from the composite curve to be 178.5 and 230.5 for the hν ranges from 3.5 to 40.8 eV and from 3.5 to 119 eV, respectively. These oscillator strengths agree well with those expected from the Thomas-Kuhn-Reiche sum rule and 60 times the photoabsorption cross section of a carbon atom. Moreover, the present σabs,I curve behaves similarly to the relative photoionization cross section curve reported by Reinköster et al.

Real-time monitoring of trace-level VOCs by an ultrasensitive compact lamp-based VUV photoionization mass spectrometer

NASA Astrophysics Data System (ADS)

Sun, W. Q.; Shu, J. N.; Zhang, P.; Li, Z.; Li, N. N.; Liang, M.; Yang, B.

2015-06-01

In this study, we report on the development of a compact lamp-based vacuum ultraviolet (VUV) photoionization mass spectrometer (PIMS; hereafter referred to as VUV-PIMS) in our laboratory; it is composed of a radio frequency-powered VUV lamp, a VUV photoionizer, an ion-immigration region, and a reflection time-of-flight mass spectrometer. By utilizing the novel photoionizer consisting of a photoionization cavity and a VUV light baffle, extremely low background noise was obtained. An ultrasensitive detection limit (2σ) of 3 pptv was achieved for benzene after an acquisition time of 10 s. To examine its potential for application in real-time sample monitoring, the developed VUV-PIMS was employed for the continuous measurement of urban air for six days in Beijing, China. Strong signals of trace-level volatile organic compounds such as benzene and its alkylated derivatives were observed in the mass spectra. These initial experimental results reveal that the instrument can be used for the online monitoring of trace-level species in the atmosphere.

Evaluation of the photoionization probability of H2+ by the trajectory semiclassical method

NASA Astrophysics Data System (ADS)

Arkhipov, D. N.; Astashkevich, S. A.; Mityureva, A. A.; Smirnov, V. V.

2018-07-01

The trajectory-based method for calculating the probabilities of transitions in the quantum system developed in our previous works and tested for atoms is applied to calculating the photoionization probability for the simplest molecule - hydrogen molecular ion. In a weak field it is established a good agreement between our photoionization cross section and the data obtained by other theoretical methods for photon energy in the range from one-photon ionization threshold up to 25 a.u. Photoionization cross section in the range 25 < ω ≤ 100 a.u. was calculated for the first time judging by the literature known to us. It is also confirmed that the trajectory method works in a wide range of the field magnitudes including superatomic values up to relativistic intensity.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

NASA Astrophysics Data System (ADS)

Xie, L. Y.; Wang, J. G.; Janev, R. K.

2014-06-01

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl →ɛ,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe25+ ion, as an example.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, L. Y.; Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009-26, Beijing 100088; Wang, J. G.

2014-06-15

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels.more » The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.« less

A Python Calculator for Supernova Remnant Evolution

NASA Astrophysics Data System (ADS)

Leahy, D. A.; Williams, J. E.

2017-05-01

A freely available Python code for modeling supernova remnant (SNR) evolution has been created. This software is intended for two purposes: to understand SNR evolution and to use in modeling observations of SNR for obtaining good estimates of SNR properties. It includes all phases for the standard path of evolution for spherically symmetric SNRs. In addition, alternate evolutionary models are available, including evolution in a cloudy ISM, the fractional energy-loss model, and evolution in a hot low-density ISM. The graphical interface takes in various parameters and produces outputs such as shock radius and velocity versus time, as well as SNR surface brightness profile and spectrum. Some interesting properties of SNR evolution are demonstrated using the program.

Modeling Line Emission from Structures Seen at High Resolution in the Nebulae m1 and M16

NASA Astrophysics Data System (ADS)

Sankrit, Ravi

1998-12-01

Narrow band images of the Crab Nebula supernova remnant and of the Eagle Nebula H II region taken with the Hubble Space Telescope (HST) show the ionization structure of the emitting gas in unprecedented detail because of the high spatial resolution. The physics of the emission processes-shock excited emission and photoionized emission-is well understood. Sophisticated numerical codes are used to model the ionization structure and emission observed in these images. It is found that the thin skin of material around the Crab synchrotron nebula visible in (O III) λ5007 emission is best explained as the cooling region behind a shock driven by the synchrotron nebula into a surrounding remnant of freely expanding ejecta. Shock models, with parameters derived from independently known properties of the Crab, explain the observed spectrum of the skin while photoionization models fail to explain the observed strength of high ionization lines such as C IV λ1549. This result is clear evidence that the synchrotron nebula is interacting with an extended remnant of ejecta, which in turn has significant implications for the structure and evolution of the Crab. At HST resolution, it is seen that low ionization emission, from lines such as (O I) λ6300, is concentrated in sharp structures while high ionization emission (from (O III) λ5007) is much more diffuse. Individual filaments are found to lie along a sequence of ionization structure ranging from features in which all lines are concentrated in the same compact volume through features with low ionization cores surrounded by high ionization envelopes. Photoionization models of cylindrically symmetrical filaments with varying 'core-halo' density profiles can match the observed variation in the filament structure in the Crab. A photoionization model of a uniform low density medium matches the extended diffuse component which dominates the high ionization emission. It is found that detailed knowledge of the filament structures present in an aperture is needed to correctly interpret ground-based spectra of the Crab. The images also show that many filament cores coincide with dust extinction features, which suggest that the dust to gas mass ratio may be up to an order of magnitude higher than is typical in the interstellar medium. Nebula show the interface between the ionized gas and the molecular cloud in tangency against the background of the ionized cavity which constitutes the H II region. A photoionization model using a density profile for the photoevaporative flow that is expected at such an interface is successful at explaining the observed emission profiles of Hα λ6563, (S II) λλ6716,6731, and (O III) λ5007. The ionizing flux is well constrained by the Hα emission and the sulphur abundance is constrained by the peak of the (S II) emission. A grid of models using the same density profiles shows how various emission properties depend on the ionizing continuum shape, ionizing flux and elemental abundances.

Total photoionization cross sections of atomic oxygen from threshold to 44.3 A

NASA Technical Reports Server (NTRS)

Angel, G. C.; Samson, James A. R.

1988-01-01

Synchrotron radiation was used to obtain the relative photoionization cross section of atomic oxygen for the production of singly charged ions over the 44.3-910.5-A wavelength range. Measurement of the contribution of multiple ionization to the cross sections has made possible the determination of total photoionization cross sections below 250 A. The series of autoionizing resonances leading to the 4P state of the oxygen ion has been observed using an ionization-type experimental procedure for the first time.

Dissociative and double photoionization cross sections of NO from threshold to 120 A

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Masuoka, T.; Pareek, P. N.

1985-01-01

The partial photoionization cross sections for producing the NO(+) parent ion and the O(+), N(+), and NO2(+) fragment ions from neutral NO are presented from 120 to 614 A. The results indicate predissociation of the c(sup3) pi (21.72 eV) and B prime (sup 1) sigma (+) (22.73 eV) electronic states of NO(+). The photoionization threshold for double ionization was found to be 39.4 + or 0.12 eV.

Photoionization and pseudopotentials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Romarly F. da; Lima, Marco A.P.; Ferreira, Luiz G.

2003-05-01

Transferability of norm-conserving pseudopotentials to low-energy electron-molecule scattering processes has been very successful [Bettega et al., Phys. Rev. A 47, 1111 (1993)]. In this paper we discuss the possibility of using effective potentials in calculations of valence electrons photoionization cross sections. Through atomic targets, we illustrate that pseudopotentials can be optimized to give cross sections in good agreement with all-electron calculations. The present work represents a first step towards more elaborate computer programs for photoionization of molecular targets containing heavy atoms.

Photoionization of calcium

NASA Astrophysics Data System (ADS)

Deshmukh, Pranawa C.; Johnson, W. R.

1983-01-01

A study of the photoionization of calcium in the relativistic random-phase approximation is reported. Predictions of photoionization cross sections, angular distribution asymmetry parameters, and spin-polarization parameters for the 4s, 3p, and 3s subshells are made with emphasis on the energy region above the 3p32 threshold where multiconfigurational effects are not expected to be very important. Autoionization resonances below the 3s threshold and between the 3p32 and 3p12 thresholds are analyzed using the relativistic multichannel quantum-defect theory.

Atmospheric correction of short-wave hyperspectral imagery using a fast, full-scattering 1DVar retrieval scheme

NASA Astrophysics Data System (ADS)

Thelen, J.-C.; Havemann, S.; Taylor, J. P.

2012-06-01

Here, we present a new prototype algorithm for the simultaneous retrieval of the atmospheric profiles (temperature, humidity, ozone and aerosol) and the surface reflectance from hyperspectral radiance measurements obtained from air/space-borne, hyperspectral imagers such as the 'Airborne Visible/Infrared Imager (AVIRIS) or Hyperion on board of the Earth Observatory 1. The new scheme, proposed here, consists of a fast radiative transfer code, based on empirical orthogonal functions (EOFs), in conjunction with a 1D-Var retrieval scheme. The inclusion of an 'exact' scattering code based on spherical harmonics, allows for an accurate treatment of Rayleigh scattering and scattering by aerosols, water droplets and ice-crystals, thus making it possible to also retrieve cloud and aerosol optical properties, although here we will concentrate on non-cloudy scenes. We successfully tested this new approach using two hyperspectral images taken by AVIRIS, a whiskbroom imaging spectrometer operated by the NASA Jet Propulsion Laboratory.

On the Analysis of the Climatology of Cloudiness of the Arabian Peninsula

NASA Astrophysics Data System (ADS)

Yousef, L. A.; Temimi, M.

2015-12-01

This study aims to determine the climatology of cloudiness over the Arabian Peninsula. The determined climatology will assist solar energy resource assessment in the region. The seasonality of cloudiness and its spatial variability will also help guide several cloud seeding operational experiments in the region. Cloud properties from the International Satellite Cloud Climatology Project (ISCCP) database covering the time period from 1983 through 2009 are analyzed. Time series of low, medium, high, and total cloud amounts are investigated, in addition to cloud optical depth and total column water vapor. Initial results show significant decreasing trends in the total and middle cloud amounts, both annually and seasonally, at a 95% confidence interval. The relationship between cloud amounts and climate oscillations known to affect the region is explored. Climate indices exhibiting significant correlations with the total cloud amounts include the Pacific Decadal Oscillation (PDO) index. The study also includes a focus on the United Arab Emirates (UAE), comparing the inferred cloudiness data to in situ rainfall measurements taken from rain gauges across the UAE. To assess the impact of cloudiness on solar power resources in the country, time series of cloud amounts and Direct Normal Irradiance (DNI), obtained from the UAE Solar Atlas, are compared.

Effective temperature of an ultracold electron source based on near-threshold photoionization.

PubMed

Engelen, W J; Smakman, E P; Bakker, D J; Luiten, O J; Vredenbregt, E J D

2014-01-01

We present a detailed description of measurements of the effective temperature of a pulsed electron source, based on near-threshold photoionization of laser-cooled atoms. The temperature is determined by electron beam waist scans, source size measurements with ion beams, and analysis with an accurate beam line model. Experimental data is presented for the source temperature as a function of the wavelength of the photoionization laser, for both nanosecond and femtosecond ionization pulses. For the nanosecond laser, temperatures as low as 14 ± 3 K were found; for femtosecond photoionization, 30 ± 5 K is possible. With a typical source size of 25 μm, this results in electron bunches with a relative transverse coherence length in the 10⁻⁴ range and an emittance of a few nm rad. © 2013 Elsevier B.V. All rights reserved.

High efficiency direct detection of ions from resonance ionization of sputtered atoms

DOEpatents

Gruen, Dieter M.; Pellin, Michael J.; Young, Charles E.

1986-01-01

A method and apparatus are provided for trace and other quantitative analysis with high efficiency of a component in a sample, with the analysis involving the removal by ion or other bombardment of a small quantity of ion and neutral atom groups from the sample, the conversion of selected neutral atom groups to photoions by laser initiated resonance ionization spectroscopy, the selective deflection of the photoions for separation from original ion group emanating from the sample, and the detection of the photoions as a measure of the quantity of the component. In some embodiments, the original ion group is accelerated prior to the RIS step for separation purposes. Noise and other interference are reduced by shielding the detector from primary and secondary ions and deflecting the photoions sufficiently to avoid the primary and secondary ions.

High efficiency direct detection of ions from resonance ionization of sputtered atoms

DOEpatents

Gruen, D.M.; Pellin, M.J.; Young, C.E.

1985-01-16

A method and apparatus are provided for trace and other quantitative analysis with high efficiency of a component in a sample, with the analysis involving the removal by ion or other bombardment of a small quantity of ion and neutral atom groups from the sample, the conversion of selected neutral atom groups to photoions by laser initiated resonance ionization spectroscopy, the selective deflection of the photoions for separation from original ion group emanating from the sample, and the detection of the photoions as a measure of the quantity of the component. In some embodiments, the original ion group is accelerated prior to the RIS step for separation purposes. Noise and other interference are reduced by shielding the detector from primary and secondary ions and deflecting the photoions sufficiently to avoid the primary and secondary ions.

Global Aerosol Direct Radiative Effect From CALIOP and C3M

NASA Technical Reports Server (NTRS)

Winker, Dave; Kato, Seiji; Tackett, Jason

2015-01-01

Aerosols are responsible for the largest uncertainties in current estimates of climate forcing. These uncertainties are due in part to the limited abilities of passive sensors to retrieve aerosols in cloudy skies. We use a dataset which merges CALIOP observations together with other A-train observations to estimate aerosol radiative effects in cloudy skies as well as in cloud-free skies. The results can be used to quantify the reduction of aerosol radiative effects in cloudy skies relative to clear skies and to reduce current uncertainties in aerosol radiative effects.

Global Aerosol Direct Radiative Effect from CALIOP and C3M

NASA Technical Reports Server (NTRS)

Winker, Dave; Kato, Seiji; Tackett, Jason

2015-01-01

Aerosols are responsible for the largest uncertainties in current estimates of climate forcing. These uncertainties are due in part to the limited abilities of passive sensors to retrieve aerosols in cloudy skies. We use a dataset which merges CALIOP observations together with other A-train observations to estimate aerosol radiative effects in cloudy skies as well as in cloud-free skies. The results can be used to quantify the reduction of aerosol radiative effects in cloudy skies relative to clear skies and to reduce current uncertainties in aerosol radiative effects.

Different insulin concentrations in resuspended vs. unsuspended NPH insulin: Practical aspects of subcutaneous injection in patients with diabetes.

PubMed

Lucidi, P; Porcellati, F; Marinelli Andreoli, A; Candeloro, P; Cioli, P; Bolli, G B; Fanelli, C G

2017-06-06

This study measured the insulin concentration (Ins [C] ) of NPH insulin in vials and cartridges from different companies after either resuspension (R+) or not (R-; in the clear/cloudy phases of unsuspended NPH). Measurements included Ins [C] in NPH(R+) and in the clear/cloudy phases of NPH(R-), and the time needed to resuspend NPH and time for NPH(R+) to separate again into clear/cloudy parts. In vials of NPH(R+) (assumed to be 100%), Ins [C] in the clear phase of NPH(R-) was<1%, but 230±41% and 234±54% in the cloudy phases of Novo Nordisk and Eli Lilly NPH, respectively. Likewise, in pen cartridges, Ins [C] in the clear phase of NPH(R-) was<1%, but 182±33%, 204±22% and 229±62% in the cloudy phases of Novo, Lilly and Sanofi NPH. Time needed to resuspend NPH (spent in tipping) in vials was brief with both Novo (5±1s) and Lilly NPH (6±1s), but longer with all pen cartridges (50±8s, 40±6s and 30±4s from Novo, Lilly and Sanofi, respectively; P=0.022). Time required for 50% separation into cloudy and clear parts of NPH was longer with Novo (60±7min) vs. Lilly (18±3min) in vials (P=0.021), and affected by temperature, but not by the different diameter sizes of the vials. With pen cartridges, separation into clear and cloudy parts was significantly faster than in vials (P<0.01). Ins [C] in NPH preparations varies depending on their resuspension or not. Thus, subcutaneous injection of the same number of units of NPH in patients with diabetes may deliver different amounts of insulin depending on its prior NPH resuspension. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

The remarkably high excitation planetary nebula GC 6537

PubMed Central

Aller, Lawrence H.; Hung, Siek; Feibelman, Walter A.

1999-01-01

NGC 6537 is an unusually high excitation point symmetric planetary nebula with a rich spectrum. Its kinematical structures are of special interest. We are here primarily concerned with the high resolution spectrum as revealed by the Hamilton echelle Spectrograph at Lick Observatory (resolution ≈ 0.2 Å) and supplemented by UV and near-UV data. These extensive data permit a determination of interstellar extinction, plasma diagnostics, and ionic concentrations. The photoionization models that have been used successfully for many planetary nebulae are not entirely satisfactory here. The plasma electron temperature of a photoionization model cannot much exceed 20,000 K, but plasma diagnostics show that regions emitting radiation of highly ionized atoms such as [Neiv] and [Nev] are much hotter, showing that shock excitation must be important, as suggested by the remarkable kinematics of this object. Hence, instead of employing a strict photoionization model, we are guided by the nebular diagnostics, which reveal how electron temperature varies with ionization potential and accommodates density effects. The predictions of the photoionization model may be useful in estimating ionization correction factor. In effect, we have estimated the chemical composition by using both photoionization and shock considerations. PMID:10318889

Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals.

PubMed

Velasco, A M; Lavín, C; Dolgounitcheva, O; Ortiz, J V

2014-08-21

Vertical excitation energies of the methyl and silyl radicals were inferred from ab initio electron propagator calculations on the electron affinities of CH3(+) and SiH3(+). Photoionization cross sections and angular distribution of photoelectrons for the outermost orbitals of both CH3 and SiH3 radicals have been obtained with the Molecular Quantum Defect Orbital method. The individual ionization cross sections corresponding to the Rydberg channels to which the excitation of the ground state's outermost electron gives rise are reported. Despite the relevance of methyl radical in atmospheric chemistry and combustion processes, only data for the photon energy range of 10-11 eV seem to be available. Good agreement has been found with experiment for photoionization cross section of this radical. To our knowledge, predictions of the above mentioned photoionization parameters on silyl radical are made here for the first time, and we are not aware of any reported experimental measurements. An analysis of our results reveals the presence of a Cooper minimum in the photoionization of the silyl radical. The adequacy of the two theoretical procedures employed in the present work is discussed.

Photoionization of furan from the ground and excited electronic states.

PubMed

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

2016-02-28

Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

The remarkably high excitation planetary nebula GC 6537.

PubMed

Aller, L H; Hung, S; Feibelman, W A

1999-05-11

NGC 6537 is an unusually high excitation point symmetric planetary nebula with a rich spectrum. Its kinematical structures are of special interest. We are here primarily concerned with the high resolution spectrum as revealed by the Hamilton echelle Spectrograph at Lick Observatory (resolution approximately 0.2 A) and supplemented by UV and near-UV data. These extensive data permit a determination of interstellar extinction, plasma diagnostics, and ionic concentrations. The photoionization models that have been used successfully for many planetary nebulae are not entirely satisfactory here. The plasma electron temperature of a photoionization model cannot much exceed 20,000 K, but plasma diagnostics show that regions emitting radiation of highly ionized atoms such as [NeIV] and [NeV] are much hotter, showing that shock excitation must be important, as suggested by the remarkable kinematics of this object. Hence, instead of employing a strict photoionization model, we are guided by the nebular diagnostics, which reveal how electron temperature varies with ionization potential and accommodates density effects. The predictions of the photoionization model may be useful in estimating ionization correction factor. In effect, we have estimated the chemical composition by using both photoionization and shock considerations.

Interacting supernovae from photoionization-confined shells around red supergiant stars

NASA Astrophysics Data System (ADS)

Mackey, Jonathan; Mohamed, Shazrene; Gvaramadze, Vasilii V.; Kotak, Rubina; Langer, Norbert; Meyer, Dominique M.-A.; Moriya, Takashi J.; Neilson, Hilding R.

2014-08-01

Betelgeuse, a nearby red supergiant, is a fast-moving star with a powerful stellar wind that drives a bow shock into its surroundings. This picture has been challenged by the discovery of a dense and almost static shell that is three times closer to the star than the bow shock and has been decelerated by some external force. The two physically distinct structures cannot both be formed by the hydrodynamic interaction of the wind with the interstellar medium. Here we report that a model in which Betelgeuse's wind is photoionized by radiation from external sources can explain the static shell without requiring a new understanding of the bow shock. Pressure from the photoionized wind generates a standing shock in the neutral part of the wind and forms an almost static, photoionization-confined shell. Other red supergiants should have much more massive shells than Betelgeuse, because the photoionization-confined shell traps up to 35 per cent of all mass lost during the red supergiant phase, confining this gas close to the star until it explodes. After the supernova explosion, massive shells dramatically affect the supernova light curve, providing a natural explanation for the many supernovae that have signatures of circumstellar interaction.

Interacting supernovae from photoionization-confined shells around red supergiant stars.

PubMed

Mackey, Jonathan; Mohamed, Shazrene; Gvaramadze, Vasilii V; Kotak, Rubina; Langer, Norbert; Meyer, Dominique M-A; Moriya, Takashi J; Neilson, Hilding R

2014-08-21

Betelgeuse, a nearby red supergiant, is a fast-moving star with a powerful stellar wind that drives a bow shock into its surroundings. This picture has been challenged by the discovery of a dense and almost static shell that is three times closer to the star than the bow shock and has been decelerated by some external force. The two physically distinct structures cannot both be formed by the hydrodynamic interaction of the wind with the interstellar medium. Here we report that a model in which Betelgeuse's wind is photoionized by radiation from external sources can explain the static shell without requiring a new understanding of the bow shock. Pressure from the photoionized wind generates a standing shock in the neutral part of the wind and forms an almost static, photoionization-confined shell. Other red supergiants should have much more massive shells than Betelgeuse, because the photoionization-confined shell traps up to 35 per cent of all mass lost during the red supergiant phase, confining this gas close to the star until it explodes. After the supernova explosion, massive shells dramatically affect the supernova light curve, providing a natural explanation for the many supernovae that have signatures of circumstellar interaction.

Absolute single-photoionization cross sections of Se 2 + : Experiment and theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macaluso, D. A.; Aguilar, A.; Kilcoyne, A. L. D.

2015-12-28

Absolute single-photoionization cross-section measurements for Se 2+ ions were performed at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged-beams photo-ion technique. Measurements were made at a photon energy resolution of 24 ± 3 meV in the photon energy range 23.5-42.5 eV, spanning the ground state and low-lying metastable state ionization thresholds. Here, to clearly resolve the resonant structure near the ground-state threshold, high-resolution measurements were made from 30.0 to 31.9 eV at a photon energy resolution of 6.7 ± 0.7 meV. Numerous resonance features observed in the experimental spectra are assigned and their energies and quantummore » defects tabulated. The high-resolution cross-section measurements are compared with large-scale, state-of-the-art theoretical cross-section calculations obtained from the Dirac Coulomb R -matrix method. Suitable agreement is obtained over the entire photon energy range investigated. In conclusion, these results are an experimental determination of the absolute photoionization cross section of doubly ionized selenium and include a detailed analysis of the photoionization resonance spectrum of this ion.« less

Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velasco, A. M.; Lavín, C., E-mail: clavin@qf.uva.es; Dolgounitcheva, O.

2014-08-21

Vertical excitation energies of the methyl and silyl radicals were inferred from ab initio electron propagator calculations on the electron affinities of CH{sub 3}{sup +} and SiH{sub 3}{sup +}. Photoionization cross sections and angular distribution of photoelectrons for the outermost orbitals of both CH{sub 3} and SiH{sub 3} radicals have been obtained with the Molecular Quantum Defect Orbital method. The individual ionization cross sections corresponding to the Rydberg channels to which the excitation of the ground state's outermost electron gives rise are reported. Despite the relevance of methyl radical in atmospheric chemistry and combustion processes, only data for the photonmore » energy range of 10–11 eV seem to be available. Good agreement has been found with experiment for photoionization cross section of this radical. To our knowledge, predictions of the above mentioned photoionization parameters on silyl radical are made here for the first time, and we are not aware of any reported experimental measurements. An analysis of our results reveals the presence of a Cooper minimum in the photoionization of the silyl radical. The adequacy of the two theoretical procedures employed in the present work is discussed.« less

Investigation of scene identification algorithms for radiation budget measurements

NASA Technical Reports Server (NTRS)

Diekmann, F. J.

1986-01-01

The computation of Earth radiation budget from satellite measurements requires the identification of the scene in order to select spectral factors and bidirectional models. A scene identification procedure is developed for AVHRR SW and LW data by using two radiative transfer models. These AVHRR GAC pixels are then attached to corresponding ERBE pixels and the results are sorted into scene identification probability matrices. These scene intercomparisons show that there generally is a higher tendency for underestimation of cloudiness over ocean at high cloud amounts, e.g., mostly cloudy instead of overcast, partly cloudy instead of mostly cloudy, for the ERBE relative to the AVHRR results. Reasons for this are explained. Preliminary estimates of the errors of exitances due to scene misidentification demonstrates the high dependency on the probability matrices. While the longwave error can generally be neglected the shortwave deviations have reached maximum values of more than 12% of the respective exitances.

Imaging spectropolarimetry of cloudy skies

NASA Astrophysics Data System (ADS)

Pust, Nathan; Shaw, Joseph A.

2006-05-01

The polarization state of atmospheric radiance varies with cloudiness and cloud type. We have developed a dual-field-of-view imaging spectro-polarimeter for measuring atmospheric polarization in five spectral bands from 450 to 700 nm. This instrument improves the acquisition time of past full-sky digital camera designs to 400 ms using liquid crystal variable retarders (LCVRs). The system can be used to measure polarization with either fisheye or telephoto optics, allowing studies of all-sky and target polarization. We present and describe measurements of sky polarization with clear and variably cloudy sky conditions. In clear skies, we observe a slight upward trend of the degree of polarization with wavelength, in agreement with previous observations. Presence of clouds generally reduces both cloudy sky and surrounding clear sky degree of polarization. The polarization measured from a cloud often reflects only the Rayleigh scattering between the instrument and the cloud, but some of our recent data shows partially polarized cloud scattering.

Thermal degradation of cloudy apple juice phenolic constituents.

PubMed

De Paepe, D; Valkenborg, D; Coudijzer, K; Noten, B; Servaes, K; De Loose, M; Voorspoels, S; Diels, L; Van Droogenbroeck, B

2014-11-01

Although conventional thermal processing is still the most commonly used preservation technique in cloudy apple juice production, detailed knowledge on phenolic compound degradation during thermal treatment is still limited. To evaluate the extent of thermal degradation as a function of time and temperature, apple juice samples were isothermally treated during 7,200s over a temperature range of 80-145 °C. An untargeted metabolomics approach based on liquid chromatography-high resolution mass spectrometry was developed and applied with the aim to find out the most heat labile phenolic constituents in cloudy apple juice. By the use of a high resolution mass spectrometer, the high degree of in-source fragmentation, the quality of deconvolution and the employed custom-made database, it was possible to achieve a high degree of structural elucidation for the thermolabile phenolic constituents. Procyanidin subclass representatives were discovered as the most heat labile phenolic compounds of cloudy apple juice. Copyright © 2014. Published by Elsevier Ltd.

Photoionization Modelling of the Giant Broad-Line Region in NGC 3998.

NASA Astrophysics Data System (ADS)

Devereux, Nicholas

2018-01-01

Prior high angular resolution spectroscopic observations of the low-ionization nuclear emission-line region in NGC 3998 obtained with the Space Telescope Imaging Spectrograph aboard the Hubble Space Telescope revealed a rich UV-visible spectrum consisting of broad permitted and broad forbidden emission lines. The photoionization code XSTAR is employed together with reddening-insensitive emission line diagnostics to constrain a dynamical model for the broad-line region (BLR) in NGC 3998. The BLR is modelled as a large H+ region ~ 7 pc in radius consisting of dust-free, low density ~ 104 cm-3, low metallicity ~ 0.01 Z/Z⊙ gas. Modelling the shape of the broad Hα emission line significantly discriminates between two independent measures of the black hole mass, favouring the estimate of de Francesco (2006). Interpreting the broad Hα emission line in terms of a steady-state spherically symmetric inflow leads to a mass inflow rate of 1.4 x 10-2 M⊙/yr, well within the present uncertainty of calculations that attempt to explain the observed X-ray emission in terms of an advection-dominated accretion flow (ADAF). Collectively, the model provides an explanation for the shape of the Hα emission line, the relative intensities and luminosities for the H Balmer, [OIII], and potentially several of the broad UV emission lines, as well as refining the initial conditions needed for future modelling of the ADAF.

Validation of Cross Sections for Monte Carlo Simulation of the Photoelectric Effect

NASA Astrophysics Data System (ADS)

Han, Min Cheol; Kim, Han Sung; Pia, Maria Grazia; Basaglia, Tullio; Batič, Matej; Hoff, Gabriela; Kim, Chan Hyeong; Saracco, Paolo

2016-04-01

Several total and partial photoionization cross section calculations, based on both theoretical and empirical approaches, are quantitatively evaluated with statistical analyses using a large collection of experimental data retrieved from the literature to identify the state of the art for modeling the photoelectric effect in Monte Carlo particle transport. Some of the examined cross section models are available in general purpose Monte Carlo systems, while others have been implemented and subjected to validation tests for the first time to estimate whether they could improve the accuracy of particle transport codes. The validation process identifies Scofield's 1973 non-relativistic calculations, tabulated in the Evaluated Photon Data Library (EPDL), as the one best reproducing experimental measurements of total cross sections. Specialized total cross section models, some of which derive from more recent calculations, do not provide significant improvements. Scofield's non-relativistic calculations are not surpassed regarding the compatibility with experiment of K and L shell photoionization cross sections either, although in a few test cases Ebel's parameterization produces more accurate results close to absorption edges. Modifications to Biggs and Lighthill's parameterization implemented in Geant4 significantly reduce the accuracy of total cross sections at low energies with respect to its original formulation. The scarcity of suitable experimental data hinders a similar extensive analysis for the simulation of the photoelectron angular distribution, which is limited to a qualitative appraisal.

3D PIC-MCC simulations of positive streamers in air gaps

NASA Astrophysics Data System (ADS)

Jiang, M.; Li, Y.; Wang, H.; Liu, C.

2017-10-01

Simulation of positive streamer evolution is important for understanding the microscopic physical process in discharges. Simulations described in this paper are done using a 3D Particle-In-Cell, Monte-Carlo-Collision code with photoionization. Three phases of a positive streamer evolution, identified as initiation, propagation, and branching are studied during simulations. A homogeneous electric field is applied between parallel-flat electrodes forming a millimeter air gap to make simulations and analysis more simple and general. Free electrons created by the photoionization process determine initiation, propagation, and branching of the streamers. Electron avalanches form a positive streamer tip, when the space charge of ions at the positive tip dominates the local electric field. The propagation of the positive tip toward a cathode is the result of combinations of the positive tip and secondary avalanches ahead of it. A curved feather-like channel is formed without obvious branches when the electric field between electrodes is 50 kV/cm. However, a channel is formed with obvious branches when the electric field increases up to 60 kV/cm. In contrast to the branches around a sharp needle electrode, branches near the flat anode are formed at a certain distance away from it. Simulated parameters of the streamer such as diameter, maximum electric field, propagation velocity, and electron density at the streamer tip are in a good agreement with those published earlier.

Atomic photoionization in a strong magnetic field

NASA Astrophysics Data System (ADS)

Greene, C. H.

1983-10-01

The photoionization of hydrogen atoms in a strong magnetic field is formulated as a multichannel problem by representing the asymptotic electron-wave function in cylindrical coordinates. Departures from cylindrical symmetry close to the nucleus are incorporated by an R-matrix treatment at short range, which then merges with standard quantum-defect procedures. The R-matrix calculation utilizes the eigenchannel approach, recast in noniterative form. At the field strength treated here, B = 4.7 x 10 to the 9th G, the photoionization cross section displays narrow 'autoionizing' resonances near the excited Landau thresholds.

The photoionization of the diffuse galactic gas

NASA Technical Reports Server (NTRS)

Mathis, J. S.

1986-01-01

In a study of the diffuse ionized gas (DIG) component of the interstellar medium, it is attempted to see if the general properties of dilute gas ionized by O stars are similar to observations and to what extent the observations of the DIG can be used to determine the nature of the ionizing radiation field at great distances above the plane of the Galaxy. It has been suggested by Reynolds (1985) that either shocks or photoionization might be responsible for the DIG. The photoionization model seems required by the observations.

Ionization yields, total absorption, and dissociative photoionization cross sections of CH4 from 110-950 A

NASA Technical Reports Server (NTRS)

Samson, James A. R.; Haddad, G. N.; Masuoka, T.; Pareek, P. N.; Kilcoyne, D. A. L.

1989-01-01

Absolute absorption and photoionization cross sections of methane have been measured with an accuracy of about 2 or 3 percent over most of the wavelength range from 950 to 110 A. Also, dissociative photoionization cross sections were measured for the production of CH4(+), CH3(+), CH2(+), CH(+), and C(+) from their respective thresholds to 159 A, and for H(+) and H2(+) measurements were made down to 240 A. Fragmentation was observed at all excited ionic states of CH4.

High-Resolution Photoionization, Photoelectron and Photodissociation Studies. Determination of Accurate Energetic and Spectroscopic Database for Combustion Radicals and Molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ng, Cheuk-Yiu

2016-04-25

The main goal of this research program was to obtain accurate thermochemical and spectroscopic data, such as ionization energies (IEs), 0 K bond dissociation energies, 0 K heats of formation, and spectroscopic constants for radicals and molecules and their ions of relevance to combustion chemistry. Two unique, generally applicable vacuum ultraviolet (VUV) laser photoion-photoelectron apparatuses have been developed in our group, which have used for high-resolution photoionization, photoelectron, and photodissociation studies for many small molecules of combustion relevance.

GaAs-oxide interface states - A gigantic photoionization effect and its implications to the origin of these states

NASA Technical Reports Server (NTRS)

Lagowski, J.; Walukiewicz, W.; Kazior, T. E.; Gatos, H. C.; Siejka, J.

1981-01-01

Gigantic photoionization was discovered on GaAs-oxide interfaces leading to the discharge of deep surface states with rates exceeding 1000 times those of photoionization transitions to the conduction band. It exhibits a peak similar to acceptor-donor transitions and is explained as due to energy transfer from photo-excited donor-acceptor pairs to deep surface states. This new process indicates the presence of significant concentrations of shallow donor and acceptor levels not recognized in previous interface models.

Double Photoionization Near Threshold

NASA Technical Reports Server (NTRS)

Wehlitz, Ralf

2007-01-01

The threshold region of the double-photoionization cross section is of particular interest because both ejected electrons move slowly in the Coulomb field of the residual ion. Near threshold both electrons have time to interact with each other and with the residual ion. Also, different theoretical models compete to describe the double-photoionization cross section in the threshold region. We have investigated that cross section for lithium and beryllium and have analyzed our data with respect to the latest results in the Coulomb-dipole theory. We find that our data support the idea of a Coulomb-dipole interaction.

BSR: B-spline atomic R-matrix codes

NASA Astrophysics Data System (ADS)

Zatsarinny, Oleg

2006-02-01

BSR is a general program to calculate atomic continuum processes using the B-spline R-matrix method, including electron-atom and electron-ion scattering, and radiative processes such as bound-bound transitions, photoionization and polarizabilities. The calculations can be performed in LS-coupling or in an intermediate-coupling scheme by including terms of the Breit-Pauli Hamiltonian. New version program summaryTitle of program: BSR Catalogue identifier: ADWY Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWY Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computers on which the program has been tested: Microway Beowulf cluster; Compaq Beowulf cluster; DEC Alpha workstation; DELL PC Operating systems under which the new version has been tested: UNIX, Windows XP Programming language used: FORTRAN 95 Memory required to execute with typical data: Typically 256-512 Mwords. Since all the principal dimensions are allocatable, the available memory defines the maximum complexity of the problem No. of bits in a word: 8 No. of processors used: 1 Has the code been vectorized or parallelized?: no No. of lines in distributed program, including test data, etc.: 69 943 No. of bytes in distributed program, including test data, etc.: 746 450 Peripherals used: scratch disk store; permanent disk store Distribution format: tar.gz Nature of physical problem: This program uses the R-matrix method to calculate electron-atom and electron-ion collision processes, with options to calculate radiative data, photoionization, etc. The calculations can be performed in LS-coupling or in an intermediate-coupling scheme, with options to include Breit-Pauli terms in the Hamiltonian. Method of solution: The R-matrix method is used [P.G. Burke, K.A. Berrington, Atomic and Molecular Processes: An R-Matrix Approach, IOP Publishing, Bristol, 1993; P.G. Burke, W.D. Robb, Adv. At. Mol. Phys. 11 (1975) 143; K.A. Berrington, W.B. Eissner, P.H. Norrington, Comput. Phys. Comm. 92 (1995) 290].

Self-consistent ab initio Calculations for Photoionization and Electron-Ion Recombination Using the R-Matrix Method

NASA Astrophysics Data System (ADS)

Nahar, S. N.

2003-01-01

Most astrophysical plasmas entail a balance between ionization and recombination. We present new results from a unified method for self-consistent and ab initio calculations for the inverse processes of photoionization and (e + ion) recombination. The treatment for (e + ion) recombination subsumes the non-resonant radiative recombination and the resonant dielectronic recombination processes in a unified scheme (S.N. Nahar and A.K. Pradhan, Phys. Rev. A 49, 1816 (1994);H.L. Zhang, S.N. Nahar, and A.K. Pradhan, J.Phys.B, 32,1459 (1999)). Calculations are carried out using the R-matrix method in the close coupling approximation using an identical wavefunction expansion for both processes to ensure self-consistency. The results for photoionization and recombination cross sections may also be compared with state-of-the-art experiments on synchrotron radiation sources for photoionization, and on heavy ion storage rings for recombination. The new experiments display heretofore unprecedented detail in terms of resonances and background cross sections and thereby calibrate the theoretical data precisely. We find a level of agreement between theory and experiment at about 10% for not only the ground state but also the metastable states. The recent experiments therefore verify the estimated accuracy of the vast amount of photoionization data computed under the OP, IP and related works. features. Present work also reports photoionization cross sections including relativistic effects in the Breit-Pauli R-matrix (BPRM) approximation. Detailed features in the calculated cross sections exhibit the missing resonances due to fine structure. Self-consistent datasets for photoionization and recombination have so far been computed for approximately 45 atoms and ions. These are being reported in a continuing series of publications in Astrophysical J. Supplements (e.g. references below). These data will also be available from the electronic database TIPTOPBASE (http://heasarc.gsfc.nasa.gov)

K-Shell Photoionization of Nickel Ions Using R-Matrix

NASA Technical Reports Server (NTRS)

Witthoeft, M. C.; Bautista, M. A.; Garcia, J.; Kallman, T. R.; Mendoza, C.; Palmeri, P.; Quinet, P.

2011-01-01

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of the Li-like to Ca-like ions stages of Ni. Level-resolved, Breit-Pauli calculations were performed for the Li-like to Na-like stages. Term-resolved calculations, which include the mass-velocity and Darwin relativistic corrections, were performed for the Mg-like to Ca-like ion stages. This data set is extended up to Fe-like Ni using the distorted wave approximation as implemented by AUTOSTRUCTURE. The R-matrix calculations include the effects of radiative and Auger dampings by means of an optical potential. The damping processes affect the absorption resonances converging to the K thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the K-shell photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

Photoionization research on atomic beams. 2: The photoionization cross section of atomic oxygen

NASA Technical Reports Server (NTRS)

Comes, F. J.; Speier, F.; Elzer, A.

1982-01-01

An experiment to determine the absolute value of the photo-ionization cross section of atomic oxygen is described. The atoms are produced in an electrical discharge in oxygen gas with 1% hydrogen added. In order to prevent recombination a crossed beam technique is employed. The ions formed are detected by a time-of-flight mass spectrometer. The concentration of oxygen atoms in the beam is 57%. The measured photoionization cross section of atomic oxygen is compared with theoretical data. The results show the participation of autoionization processes in ionization. The cross section at the autoionizing levels detected is considerably higher than the absorption due to the unperturbed continuum. Except for wavelengths where autoionization occurs, the measured ionization cross section is in fair agreement with theory. This holds up to 550 A whereas for shorter wavelengths the theoretical values are much higher.

Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots.

PubMed

Fischer, Sean A; Lingerfelt, David B; May, Joseph W; Li, Xiaosong

2014-09-07

The unique electronic structure of Mn(2+)-doped ZnO quantum dots gives rise to photoionization states that can be used to manipulate the magnetic state of the material and to generate zero-reabsorption luminescence. Fast formation and long non-radiative decay of this photoionization state is a necessary requirement for these important applications. In this work, surface hopping based non-adiabatic molecular dynamics are used to demonstrate the fast formation of a metal-to-ligand charge transfer state in a Mn(2+)-doped ZnO quantum dot. The formation occurs on an ultrafast timescale and is aided by the large density of states and significant mixing of the dopant Mn(2+) 3dt2 levels with the valence-band levels of the ZnO lattice. The non-radiative lifetime of the photoionization states is also investigated.

Investigation on the absolute and relative photoionization cross sections of 3 potential propargylic fuels.

PubMed

Winfough, Matthew; Meloni, Giovanni

2017-12-01

Absolute photoionization cross sections for 2 potential propargylic fuels (propargylamine and dipropargyl ether) along with the partial ionization cross sections for their dissociative fragments are measured and presented for the first time via synchrotron photoionization mass spectrometry. The experimental setup consists of a multiplexed orthogonal time-of-flight mass spectrometer and is located at the Advanced Light Source facility of the Lawrence Berkeley National Laboratory in Berkeley, California. Data for a third propargylic compound (propargyl alcohol) were taken; however, because of its low signal, due to its weakly bound cation, only the dissociative ionization fragment from the H-loss channel is observed and presented. Suggested pathways leading to formation of dissociative photoionization fragments along with CBS-QB3 calculated adiabatic ionization energies and appearance energies for the dissociative fragments are also presented. Copyright © 2017 John Wiley & Sons, Ltd.

Attosecond Delays in Molecular Photoionization.

PubMed

Huppert, Martin; Jordan, Inga; Baykusheva, Denitsa; von Conta, Aaron; Wörner, Hans Jakob

2016-08-26

We report measurements of energy-dependent photoionization delays between the two outermost valence shells of N_{2}O and H_{2}O. The combination of single-shot signal referencing with the use of different metal foils to filter the attosecond pulse train enables us to extract delays from congested spectra. Remarkably large delays up to 160 as are observed in N_{2}O, whereas the delays in H_{2}O are all smaller than 50 as in the photon-energy range of 20-40 eV. These results are interpreted by developing a theory of molecular photoionization delays. The long delays measured in N_{2}O are shown to reflect the population of molecular shape resonances that trap the photoelectron for a duration of up to ∼110 as. The unstructured continua of H_{2}O result in much smaller delays at the same photon energies. Our experimental and theoretical methods make the study of molecular attosecond photoionization dynamics accessible.

Magnetic field effect on photoionization cross-section of hydrogen-like impurity in cylindrical quantum wire

NASA Astrophysics Data System (ADS)

Mughnetsyan, V. N.; Barseghyan, M. G.; Kirakosyan, A. A.

2008-01-01

We consider the photoionization of a hydrogen-like impurity centre in a quantum wire approximated by a cylindrical well of finite depth in a magnetic field directed along the wire axis. The ground state energy and the wave function of the electron localized on on-axis impurity centre are calculated using the variational method. The wave functions and energies of the final states in an one-dimensional conduction subband are also presented. The dependences of photoionization cross-section of a donor centre on magnetic field and frequency of incident radiation both for parallel and perpendicular polarizations and corresponding selection rules for the allowed transitions are found in the dipole approximation. The estimates of photoionization cross-section for various values of wire radius and magnetic field induction for GaAs quantum wire embedded in Ga 1-xAl 1-xAs matrix are given.

Open-orbit theory of photoionization microscopy on nonhydrogenic atoms

NASA Astrophysics Data System (ADS)

Liu, F. L.; Zhao, L. B.

2017-04-01

Semiclassical open-orbit theory (OOT), previously developed to study photoionization of hydrogenic atoms in a uniform electric field [L. B. Zhao and J. B. Delos, Phys. Rev. A 81, 053417 (2010), 10.1103/PhysRevA.81.053417], has been generalized to describe the propagation of outgoing electron waves to macroscopic distances from a nonhydrogenic atomic source. The generalized OOT has been applied to calculate spatial distributions of electron probability densities and current densities, produced due to photoionization for lithium in a uniform electric field. The obtained results are compared with those from the fully quantum-mechanical coupled-channel theory (CCT). The excellent agreement between the CCT and OOT confirms the reliability of the generalized OOT. Comparison is also made with theoretical calculations from the wave-packet propagation technique and the recent photoionization microscopy experiment. The existing difference between theory and experiment is discussed.

The effect of working gas impurities on plasma jets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, X. Y.; He, M. B., E-mail: pulhmb@mail.hust.edu.cn; IFSA Collaborative Innovation Center, Shanghai Jiao Tong University, Shanghai 200240

Air intrusion reduced the purity of working gas inside the tube for plasma jet, and thereby, affected the discharge dynamics. In this paper, the effect of using working gas with different purity level (helium purity 99.99999%, 99.99%, 99.9%, and 99%) on photoionization and the chemical reactivity of plasma jet were studied using a 2 dimensional plasma jet model. Photoionization of air species acted as a source of pre-ionization in front of the ionization region, which facilitated the transition from localized discharge to streamers inside the tube. The density of reactive species inside the tube was found to increase with themore » concentration of working gas impurities. For the highest purity helium (99.99999%), despite a low photoionization rate and the distance between the photoionization region and ionization region inside the tube, by increasing the applied voltage and decreasing the distance between the electrode and nozzle, plasma jets were formed.« less

VUV-Photoionization CES-Detector of Volatile Bio-Marker Molecules

NASA Astrophysics Data System (ADS)

Mustafaev, Alexander; Luneva, Nataliya; Panasyuk, George; Timofeev, Nikolay; Tsyganov, Alexander

2014-10-01

Energy spectra of characteristic electrons released via photoionization by vacuum ultraviolet (VUV) radiation of admixture molecules in the atmospheric air, not using traditional evacuated energy analyzers, can be determined by Collisional Electron Spectroscopy (CES) method. Some details of CES-photoionization sensor were described in. Our further developments are devoted to application of CES-detectors for a mobile continuous bio-chemical diagnostics. It is known that ``on breathing'' it is possible to find out volatile bio-marker molecules of a lot of diseases (lung cancer, tuberculosis, COPD, asthma, diabetes, kidney disease, mammary cancer, Crohn's disease, ulcerative colitis, etc). But today's weighty and expensive laboratory equipment (like GC MS) provides observation of these bio-markers only during patients' visits to a doctor. In this way we study pocket-size CES-sensor with micro-plasma krypton resonance radiation source (10.6 eV photons) for the photoionization detection of metabolic ammonia, ethanol, acetone and pentane molecules directly in atmospheric air.

Triggering Excimer Lasers by Photoionization from Corona Discharges

NASA Astrophysics Data System (ADS)

Xiong, Zhongmin; Duffey, Thomas; Brown, Daniel; Kushner, Mark

2009-10-01

High repetition rate ArF (192 nm) excimer lasers are used for photolithography sources in microelectronics fabrication. In highly attaching gas mixtures, preionization is critical to obtaining stable, reproducible glow discharges. Photoionization from a separate corona discharge is one technique for preionization which triggers the subsequent electron avalanche between the main electrodes. Photoionization triggering of an ArF excimer laser sustained in multi-atmosphere Ne/Ar/F2/Xe gas mixtures has been investigated using a 2-dimensional plasma hydrodynamics model including radiation transport. Continuity equations for charged and neutral species, and Poisson's equation are solved coincident with the electron temperature with transport coefficients obtained from solutions of Boltzmann's equation. Photoionizing radiation is produced by a surface discharge which propagates along a corona-bar located adjacent to the discharge electrodes. The consequences of pulse power waveform, corona bar location, capacitance and gas mixture on uniformity, symmetry and gain of the avalanche discharge will be discussed.

Dissociative Photoionization of Diethyl Ether.

PubMed

Voronova, Krisztina; Mozaffari Easter, Chrissa M; Covert, Kyle J; Bodi, Andras; Hemberger, Patrick; Sztáray, Bálint

2015-10-29

The dissociative photoionization of internal energy selected diethyl ether ions was investigated by imaging photoelectron photoion coincidence spectroscopy. In a large, 5 eV energy range Et2O(+) cations decay by two parallel and three sequential dissociative photoionization channels, which can be modeled well using statistical theory. The 0 K appearance energies of the CH3CHOCH2CH3(+) (H-loss, m/z = 73) and CH3CH2O═CH2(+) (methyl-loss, m/z = 59) fragment ions were determined to be 10.419 ± 0.015 and 10.484 ± 0.008 eV, respectively. The reemergence of the hydrogen-loss ion above 11 eV is attributed to transition-state (TS) switching, in which the second, outer TS is rate-determining at high internal energies. At 11.81 ± 0.05 eV, a secondary fragment of the CH3CHOCH2CH3(+) (m/z = 73) ion, protonated acetaldehyde, CH3CH═OH(+) (m/z = 45) appears. On the basis of the known thermochemical onset of this fragment, a reverse barrier of 325 meV was found. Two more sequential dissociation reactions were examined, namely, ethylene and formaldehyde losses from the methyl-loss daughter ion. The 0 K appearance energies of 11.85 ± 0.07 and 12.20 ± 0.08 eV, respectively, indicate no reverse barrier in these processes. The statistical model of the dissociative photoionization can also be used to predict the fractional ion abundances in threshold photoionization at large temperatures, which could be of use in, for example, combustion diagnostics.

Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Schulenburg, A. M.; Alcaraz, Ch.; Grassi, G.; Merkt, F.

2006-09-01

High-resolution photoionization and pulsed-field-ionization zero-kinetic-energy photoelectron spectra of CH3, CH2D, CHD2, and CD3 have been recorded in the vicinity of the first adiabatic ionization threshold following single-photon excitation from the ground neutral state using a narrow-bandwidth vacuum-ultraviolet laser. The radicals were produced from the precursor molecules methyl-bromide, methyl-iodide, dimethyl-thioether, acetone, and nitromethane by 193nm excimer photolysis in a quartz capillary and were subsequently cooled to a rotational temperature Trot≈30K in a supersonic expansion. Nitromethane was identified as a particularly suitable photolytic precursor of methyl for studies by photoionization and threshold photoelectron spectroscopy. Thanks to the cold rotational temperature reached in the supersonic expansion, the rotational structure of the threshold ionization spectra could be resolved, and the photoionization dynamics investigated. Rydberg series converging on excited rotational levels of CH3+ could be observed in the range of principal quantum number n =30-50, and both rotational autoionization and predissociation were identified as decay processes in the threshold region. The observed photoionization transitions can be understood in the realm of an orbital model for direct ionization but the intensity distributions can only be fully accounted for if the rotational channel interactions mediated by the quadrupole of the cation are considered. Improved values of the adiabatic ionization thresholds were derived for all isotopomers [CH3: 79356.2(15)cm-1, CH2D: 79338.8(15)cm-1, CHD2: 79319.1(15)cm-1, and CD3: 79296.4(15)cm-1].

Ultrafast High Accuracy PCRTM_SOLAR Model for Cloudy Atmosphere

NASA Technical Reports Server (NTRS)

Yang, Qiguang; Liu, Xu; Wu, Wan; Yang, Ping; Wang, Chenxi

2015-01-01

An ultrafast high accuracy PCRTM_SOLAR model is developed based on PCA compression and principal component-based radiative transfer model (PCRTM). A fast algorithm for simulation of multi-scattering properties of cloud and/or aerosols is integrated into the fast infrared PCRTM. We completed radiance simulation and training for instruments, such as IASI, AIRS, CrIS, NASTI and SHIS, under diverse conditions. The new model is 5 orders faster than 52-stream DISORT with very high accuracy for cloudy sky radiative transfer simulation. It is suitable for hyperspectral remote data assimilation and cloudy sky retrievals.

Cloud cover classification through simultaneous ground-based measurements of solar and infrared radiation

NASA Astrophysics Data System (ADS)

Orsini, Antonio; Tomasi, Claudio; Calzolari, Francescopiero; Nardino, Marianna; Cacciari, Alessandra; Georgiadis, Teodoro

2002-04-01

Simultaneous measurements of downwelling short-wave solar irradiance and incoming total radiation flux were performed at the Reeves Nevè glacier station (1200 m MSL) in Antarctica on 41 days from late November 1994 to early January 1995, employing the upward sensors of an albedometer and a pyrradiometer. The downwelling short-wave radiation measurements were analysed following the Duchon and O'Malley [J. Appl. Meteorol. 38 (1999) 132] procedure for classifying clouds, using the 50-min running mean values of standard deviation and the ratio of scaled observed to scaled clear-sky irradiance. Comparing these measurements with the Duchon and O'Malley rectangular boundaries and the local human observations of clouds collected on 17 days of the campaign, we found that the Duchon and O'Malley classification method obtained a success rate of 93% for cirrus and only 25% for cumulus. New decision criteria were established for some polar cloud classes providing success rates of 94% for cirrus, 67% for cirrostratus and altostratus, and 33% for cumulus and altocumulus. The ratios of the downwelling short-wave irradiance measured for cloudy-sky conditions to that calculated for clear-sky conditions were analysed in terms of the Kasten and Czeplak [Sol. Energy 24 (1980) 177] formula together with simultaneous human observations of cloudiness, to determine the empirical relationship curves providing reliable estimates of cloudiness for each of the three above-mentioned cloud classes. Using these cloudiness estimates, the downwelling long-wave radiation measurements (obtained as differences between the downward fluxes of total and short-wave radiation) were examined to evaluate the downwelling long-wave radiation flux normalised to totally overcast sky conditions. Calculations of the long-wave radiation flux were performed with the MODTRAN 3.7 code [Kneizys, F.X., Abreu, L.W., Anderson, G.P., Chetwynd, J.H., Shettle, E.P., Berk, A., Bernstein, L.S., Robertson, D.C., Acharya, P., Rothman, L.S., Selby, J.E.A., Gallery, W.O., Clough, S.A., 1996. In: Abreu, L.W., Anderson, G.P. (Eds.), The MODTRAN 2/3 Report and LOWTRAN 7 MODEL. Contract F19628-91-C.0132, Phillips Laboratory, Geophysics Directorate, PL/GPOS, Hanscom AFB, MA, 261 pp.] for both clear-sky and cloudy-sky conditions, considering various cloud types characterised by different cloud base altitudes and vertical thicknesses. From these evaluations, best-fit curves of the downwelling long-wave radiation flux were defined as a function of the cloud base height for the three polar cloud classes. Using these relationship curves, average estimates of the cloud base height were obtained from the three corresponding sub-sets of long-wave radiation measurements. The relative frequency histograms of the cloud base height defined by examining these three sub-sets were found to present median values of 4.7, 1.7 and 3.6 km for cirrus, cirrostratus/altostratus and cumulus/altocumulus, respectively, while median values of 6.5, 1.8 and 2.9 km were correspondingly determined by analysing only the measurements taken together with simultaneous cloud observations.

The Analysis of PPM Levels of Gases in Air by Photoionization Mass Spectrometry

ERIC Educational Resources Information Center

Driscoll, John N.; Warneck, Peter

1973-01-01

Discusses analysis of trace gases in air by photoionization mass spectrometer. It is shown that the necessary sensitivity can be obtained by eliminating the UV monochromator and using direct ionization with a hydrogen light source. (JP)

Synchrotron Photoionization Investigation of the Oxidation of Ethyl tert-Butyl Ether.

PubMed

Winfough, Matthew; Yao, Rong; Ng, Martin; Catani, Katherine; Meloni, Giovanni

2017-02-23

The oxidation of ethyl tert-butyl ether (ETBE), a widely used fuel oxygenated additive, is investigated using Cl atoms as initiators in the presence of oxygen. The reaction is carried out at 293, 550, and 700 K. Reaction products are probed by a multiplexed chemical kinetics photoionization mass spectrometer coupled with the synchrotron radiation produced at the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory. Products are identified on the basis of mass-to-charge ratio, ionization energies, and shape of photoionization spectra. Reaction pathways are proposed together with detected primary products.

A vacuum ultraviolet photoionization study on the thermal decomposition of ammonium perchlorate

DOE PAGES

Gobi, Sandor; Zhao, Long; Xu, Bo; ...

2017-11-14

Pyrolysis products of ammonium perchlorate (NH 4ClO 4) at 483 K were monitored on line and in situ via single photon photoionization reflectron time-of-flight spectrometry (PI-ReTOF-MS) in the photon energy range of 9.00–17.50 eV. The photoionization efficiency curves (PIE) of the subliming product molecules were collected and allowed for detection of three class of products containing chlorine, nitrogen, and oxygen including atoms and free radicals. The results found suggest a new insight into possible low-temperature decomposition pathways of NH 4ClO 4.

Modeling X-Ray Photoionized Plasmas: Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for L-Shell Iron

NASA Technical Reports Server (NTRS)

Savin, D. W.; Badnell, N. R.; Bartsch, T.; Brandau, C.; Chen, M. H.; Grieser, M.; Gwinner, G.; Hoffknecht, A.; Kahn, S. M.; Linkemann, J.

2000-01-01

Iron L-shell ions (Fe XVII to Fe XXIV) play an important role in determining the line emission and thermal and ionization structures of photoionized gases. Existing uncertainties in the theoretical low temperature dielectronic recombination (DR) rate coefficients for these ions significantly affects our ability to model and interpret observations of photoionized plasmas. To help address this issue, we have initiated a laboratory program to produce reliable low temperature DR rates. Here, we present some of our recent results and discuss some of their astrophysical implications.

A vacuum ultraviolet photoionization study on the thermal decomposition of ammonium perchlorate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gobi, Sandor; Zhao, Long; Xu, Bo

Pyrolysis products of ammonium perchlorate (NH 4ClO 4) at 483 K were monitored on line and in situ via single photon photoionization reflectron time-of-flight spectrometry (PI-ReTOF-MS) in the photon energy range of 9.00–17.50 eV. The photoionization efficiency curves (PIE) of the subliming product molecules were collected and allowed for detection of three class of products containing chlorine, nitrogen, and oxygen including atoms and free radicals. The results found suggest a new insight into possible low-temperature decomposition pathways of NH 4ClO 4.

A vacuum ultraviolet photoionization study on the thermal decomposition of ammonium perchlorate

NASA Astrophysics Data System (ADS)

Góbi, Sándor; Zhao, Long; Xu, Bo; Ablikim, Utuq; Ahmed, Musahid; Kaiser, Ralf I.

2018-01-01

Pyrolysis products of ammonium perchlorate (NH4ClO4) at 483 K were monitored on line and in situ via single photon photoionization reflectron time-of-flight spectrometry (PI-ReTOF-MS) in the photon energy range of 9.00-17.50 eV. The photoionization efficiency curves (PIE) of the subliming product molecules were collected and allowed for detection of three class of products containing chlorine, nitrogen, and oxygen including atoms and free radicals. These results suggest a new insight into possible low-temperature decomposition pathways of NH4ClO4.

Photoionization of hydrogen in a strong static electric field

NASA Astrophysics Data System (ADS)

Ohgoda, Shun; Tolstikhin, Oleg I.; Morishita, Toru

2017-04-01

We analyze photoionization of hydrogen in the presence of a strong static electric field F ˜0.1 a.u. Such a field essentially modifies the spectrum of the unperturbed atom. Even the ground n =1 state acquires a non-negligible width, while the higher field-free bound states become overlapping resonances. At the same time, static-field-induced states (SFISs) found recently [A. V. Gets and O. I. Tolstikhin, Phys. Rev. A 87, 013419 (2013), 10.1103/PhysRevA.87.013419] emerge in the field-free continuum. We formulate the theory of photoionization from a decaying initial state and define appropriate observables—the reduced photoionization rate and transverse momentum distribution of photoelectrons. These observables are calculated for the four initial states with n =1 and 2 in the different polarization cases. The SFISs are shown to manifest themselves as distinct peaks in the observables. Remarkably, even broad SFISs can be seen as narrow well-pronounced peaks at fields where their widths are comparable to that of the initial state. Such a resonance enhancement of the manifestations of SFISs is the main finding of this paper. This finding suggests that SFISs should manifest themselves also in photoelectron momentum distributions produced by photoionization in the presence of a quasistatic field of intense low-frequency laser pulses currently used in strong-field physics.

Protonation enhancement by dichloromethane doping in low-pressure photoionization

PubMed Central

Shu, Jinian; Zou, Yao; Xu, Ce; Li, Zhen; Sun, Wanqi; Yang, Bo; Zhang, Haixu; Zhang, Peng; Ma, Pengkun

2016-01-01

Doping has been used to enhance the ionization efficiency of analytes in atmospheric pressure photoionization, which is based on charge exchange. Compounds with excellent ionization efficiencies are usually chosen as dopants. In this paper, we report a new phenomenon observed in low-pressure photoionization: Protonation enhancement by dichloromethane (CH2Cl2) doping. CH2Cl2 is not a common dopant due to its high ionization energy (11.33 eV). The low-pressure photoionization source was built using a krypton VUV lamp that emits photons with energies of 10.0 and 10.6 eV and was operated at ~500–1000 Pa. Protonation of water, methanol, ethanol, and acetaldehyde was respectively enhanced by 481.7 ± 122.4, 197.8 ± 18.8, 87.3 ± 7.8, and 93.5 ± 35.5 times after doping 291 ppmv CH2Cl2, meanwhile CH2Cl2 almost does not generate noticeable ions itself. This phenomenon has not been documented in the literature. A new protonation process involving in ion-pair and H-bond formations was proposed to expound the phenomenon. The observed phenomenon opens a new prospect for the improvement of the detection efficiency of VUV photoionization. PMID:27905552

Protonation enhancement by dichloromethane doping in low-pressure photoionization.

PubMed

Shu, Jinian; Zou, Yao; Xu, Ce; Li, Zhen; Sun, Wanqi; Yang, Bo; Zhang, Haixu; Zhang, Peng; Ma, Pengkun

2016-12-01

Doping has been used to enhance the ionization efficiency of analytes in atmospheric pressure photoionization, which is based on charge exchange. Compounds with excellent ionization efficiencies are usually chosen as dopants. In this paper, we report a new phenomenon observed in low-pressure photoionization: Protonation enhancement by dichloromethane (CH 2 Cl 2 ) doping. CH 2 Cl 2 is not a common dopant due to its high ionization energy (11.33 eV). The low-pressure photoionization source was built using a krypton VUV lamp that emits photons with energies of 10.0 and 10.6 eV and was operated at ~500-1000 Pa. Protonation of water, methanol, ethanol, and acetaldehyde was respectively enhanced by 481.7 ± 122.4, 197.8 ± 18.8, 87.3 ± 7.8, and 93.5 ± 35.5 times after doping 291 ppmv CH 2 Cl 2 , meanwhile CH 2 Cl 2 almost does not generate noticeable ions itself. This phenomenon has not been documented in the literature. A new protonation process involving in ion-pair and H-bond formations was proposed to expound the phenomenon. The observed phenomenon opens a new prospect for the improvement of the detection efficiency of VUV photoionization.

DISSOCIATIVE PHOTOIONIZATION OF POLYCYCLIC AROMATIC HYDROCARBON MOLECULES CARRYING AN ETHYNYL GROUP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rouillé, G.; Krasnokutski, S. A.; Fulvio, D.

The life cycle of the population of interstellar polycyclic aromatic hydrocarbon (PAH) molecules depends partly on the photostability of the individual species. We have studied the dissociative photoionization of two ethynyl-substituted PAH species, namely, 9-ethynylphenanthrene and 1-ethynylpyrene. Their adiabatic ionization energy and the appearance energy of fragment ions have been measured with the photoelectron photoion coincidence spectroscopy technique. The adiabatic ionization energy has been found at 7.84 ± 0.02 eV for 9-ethynylphenanthrene and at 7.41 ± 0.02 eV for 1-ethynylpyrene. These values are similar to those determined for the corresponding non-substituted PAH molecules phenanthrene and pyrene. The appearance energy ofmore » the fragment ion indicative of the loss of a H atom following photoionization is also similar for either ethynyl-substituted PAH molecule and its non-substituted counterpart. The measurements are used to estimate the critical energy for the loss of a H atom by the PAH cations and the stability of ethynyl-substituted PAH molecules upon photoionization. We conclude that these PAH derivatives are as photostable as the non-substituted species in H i regions. If present in the interstellar medium, they may play an important role in the growth of interstellar PAH molecules.« less

Atomic photoionization processes under magnification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lepine, F.; Bordas, Ch.; Nicole, C.

2004-09-01

Recently, classical simulations of threshold photoionization in the presence of an electric field have shown that a clear distinction between direct and indirect trajectories followed by the outgoing electron can be observed in the patterns of electron impacts on a two-dimensional detector. Subsequently, slow photoelectron imaging experiments have been reported where this distinction could be observed in atomic xenon. Furthermore, using a magnifying electrostatic lens to improve the velocity-map imaging technique, oscillatory patterns were observed modulating the classical envelope that was measured in the experiments of Nicole et al. [Phys. Rev. Lett. 88, 133001 (2002)]. This extension of slow photoelectronmore » imaging, called photoionization microscopy, relies on the existence of interferences between various trajectories by which the electron moves from the atom to the plane of observation. In this article we present the main experimental results obtained both in slow photoelectron imaging and in photoionization microscopy. The formation of the interference pattern is discussed in the framework of a semiclassical model that is described in detail elsewhere. The qualitative information that can be drawn from the experiments is discussed, and the potential applications of photoionization microscopy are considered. Particular attention is paid to the role of continuum Stark resonances that appear between the saddle point in the Coulomb+dc field potential and the field-free ionization limit.« less

Bow shock data analysis

NASA Astrophysics Data System (ADS)

Zipf, Edward C.; Erdman, Peeter W.

1994-08-01

The University of Pittsburgh Space Physics Group in collaboration with the Army Research Office (ARO) modeling team has completed a systematic organization of the shock and plume spectral data and the electron temperature and density measurements obtained during the BowShock I and II rocket flights which have been submitted to the AEDC Data Center, has verified the presence of CO Cameron band emission during the Antares engine burn and for an extended period of time in the post-burn plume, and have adapted 3-D radiation entrapment codes developed by the University of Pittsburgh to study aurora and other atmospheric phenomena that involve significant spatial effects to investigate the vacuum ultraviolet (VUV) and extreme ultraviolet (EUV) envelope surrounding the re-entry that create an extensive plasma cloud by photoionization.

VizieR Online Data Catalog: Giant HII regions BOND abundances (Vale Asari+, 2016)

NASA Astrophysics Data System (ADS)

Vale Asari, N.; Stasinska, G.; Morisset, C.; Cid Fernandes, R.

2017-10-01

BOND determines nitrogen and oxygen gas-phase abundances by using strong and semistrong lines and comparing them to a grid of photoionization models in a Bayesian framework. The code is written in python and its source is publicly available at http://bond.ufsc.br. The grid of models presented here is included in the 3MdB data base (Morisset, Delgado-Inglada & Flores-Fajardo 2015RMxAA..51..103M, see https://sites.google.com/site/mexicanmillionmodels/) under the reference 'BOND'. The Bayesian posterior probability calculated by bond stands on two pillars: our grid of models and our choice of observational constraints (from which we calculate our likelihoods). We discuss each of these in turn. (2 data files).

Bioactive compounds and quality parameters of natural cloudy lemon juices.

PubMed

Uçan, Filiz; Ağçam, Erdal; Akyildiz, Asiye

2016-03-01

In this study, bioactive compounds (phenolic and carotenoid) and some quality parameters (color, browning index and hydroxymethylfurfural (HMF)) of natural cloudy lemon juice, pasteurized (90 °C/15 s) and storage stability of concentrated lemon juice (-25 °C/180 days) were carried out. Fifteen phenolic compounds were determined in the lemon juice and the most abounded phenolic compounds were hesperidin, eriocitrin, chlorogenic acid and neoeriocitrin. In generally, phenolic compound concentrations of lemon juice samples increased after the pasteurization treatment. Four carotenoid compounds (β-carotene, β-cryptoxanthin, lutein and zeaxanthin) were detected in natural cloudy lemon juice. Lutein and β-cryptoxanthin were the most abounded carotenoid compounds in the lemon juice. Color values of the lemon juices were not affected by processing and storage periods. HMF and browning index of the lemon juices increased with concentration and storage. According to the results, storing at -25 °C was considered as sufficient for acceptable quality limits of natural cloudy lemon juice.

Minimizing quality changes of cloudy apple juice: The use of kiwifruit puree and high pressure homogenization.

PubMed

Yi, Junjie; Kebede, Biniam; Kristiani, Kristiani; Grauwet, Tara; Van Loey, Ann; Hendrickx, Marc

2018-05-30

Cloud loss, enzymatic browning, and flavor changes are important quality defects of cloudy fruit juices determining consumer acceptability. The development of clean label options to overcome such quality problems is currently of high interest. Therefore, this study investigated the effect of kiwifruit puree (clean label ingredient) and high pressure homogenization on quality changes of cloudy apple juice using a multivariate approach. The use of kiwifruit puree addition and high pressure homogenization resulted in a juice with improved uniformity and cloud stability by reducing particle size and increasing viscosity and yield stress (p < 0.01). Furthermore, kiwifruit puree addition reduced enzymatic browning (ΔE ∗  < 3), due to the increased ascorbic acid and contributed to a more saturated and bright yellow color, a better taste balance, and a more fruity aroma of juice. This work demonstrates that clean label options to control quality degradation of cloudy fruit juice might offer new opportunities. Copyright © 2018 Elsevier Ltd. All rights reserved.

Spectral Invariant Behavior of Zenith Radiance Around Cloud Edges Observed by ARM SWS

NASA Technical Reports Server (NTRS)

Marshak, A.; Knyazikhin, Y.; Chiu, J. C.; Wiscombe, W. J.

2009-01-01

The ARM Shortwave Spectrometer (SWS) measures zenith radiance at 418 wavelengths between 350 and 2170 nm. Because of its 1-sec sampling resolution, the SWS provides a unique capability to study the transition zone between cloudy and clear sky areas. A spectral invariant behavior is found between ratios of zenith radiance spectra during the transition from cloudy to cloud-free. This behavior suggests that the spectral signature of the transition zone is a linear mixture between the two extremes (definitely cloudy and definitely clear). The weighting function of the linear mixture is a wavelength-independent characteristic of the transition zone. It is shown that the transition zone spectrum is fully determined by this function and zenith radiance spectra of clear and cloudy regions. An important result of these discoveries is that high temporal resolution radiance measurements in the clear-to-cloud transition zone can be well approximated by lower temporal resolution measurements plus linear interpolation.

Recent changes in solar irradiance and infrared irradiance related with air temperature and cloudiness at the King Sejong Station, Antarctica

NASA Astrophysics Data System (ADS)

Jung, Y.; Kim, J.; Cho, H.; Lee, B.

2006-12-01

The polar region play a critical role in the surface energy balance and the climate system of the Earth. The important question in the region is that what is the role of the Antarctic atmospheric heat sink of global climate. Thus, this study shows the trends of global solar irradiance, infrared irradiance, air temperature and cloudiness measured at the King Sejong station, Antarctica, during the period of 1996-2004 and determines their relationship and variability of the surface energy balance. Annual average of solar radiation and cloudiness is 81.8 Wm-2 and 6.8 oktas and their trends show the decrease of -0.24 Wm-2yr-1(-0.30 %yr-1) and 0.02 oktas yr-1(0.30 %yr-1). The change of solar irradiance is directly related to change of cloudiness and decrease of solar irradiance presents radiative cooling at the surface. Monthly mean infrared irradiance, air temperature and specific humidity shows the decrease of -2.11 Wm^{- 2}yr-1(-0.75 %yr-1), -0.07 'Cyr-1(-5.15 %yr-1) and -0.044 gkg-1yr-1(-1.42 %yr-1), respectively. Annual average of the infrared irradiance is 279.9 Wm-2 and correlated with the air temperature, specific humidity and cloudiness. A multiple regression model for estimation of the infrared irradiance using the components has been developed. Effects of the components on the infrared irradiance changes show 52 %, 19 % and 10 % for air temperature, specific humidity and cloudiness, respectively. Among the components, air temperature has a great influence on infrared irradiance. Despite the increase of cloudiness, the decrease in the infrared irradiance is due to the decrease of air temperature and specific humidity which have a cooling effect. Therefore, the net radiation of the surface energy balance shows radiative cooling of negative 11-24 Wm^{- 2} during winter and radiative warming of positive 32-83 Wm-2 during the summer. Thus, the amount of shortage and surplus at the surface is mostly balanced by turbulent flux of sensible and latent heat.

Photoionization of ground and excited levels of P II

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2017-01-01

Photoionization cross section (σPI) of P II, (hν + P II → P III + e), from ground and a large number of excited levels are presented. The study includes the resonant structures and the characteristics of the background in photoionization cross sections. The present calculations were carried out in the Breit-Pauli R-matrix (BPRM) method that includes relativistic effects. The autoionizing resonances are delineated with a fine energy mesh to observe the fine structure effects. A singular resonance, formed by the coupling of channels in fine structure but not allowed in LS coupling, is seen at the ionization threshold of photoionization for the ground and many excited levels. The background cross section is seen enhanced compared to smooth decay for the excited levels. Examples are presented to illustrate the enhanced background cross sections at the energies of the core levels, 4P3/2 and 2D3/2, that are allowed for electric dipole transitions by the core ground level 2 P1/2o. In addition strong Seaton or photo-excitation-of-core (PEC) resonances are found in the photoionization of single valence electron excited levels. Calculations used a close coupling wave function expansion that included 18 fine structure levels of core P III from configurations 3s23p, 3s3p2, 3s23d, 3s24s, 3s24p and 3p3. Photoionization cross sections are presented for all 475 fine structure levels of P II found with n ≤ 10 and l ≤ 9. The present results will provide high precision parameters of various applications involving this less studied ion.

Anatomy of the AGN in NGC 5548. IX. Photoionized emission features in the soft X-ray spectra

NASA Astrophysics Data System (ADS)

Mao, Junjie; Kaastra, J. S.; Mehdipour, M.; Gu, Liyi; Costantini, E.; Kriss, G. A.; Bianchi, S.; Branduardi-Raymont, G.; Behar, E.; Di Gesu, L.; Ponti, G.; Petrucci, P.-O.; Ebrero, J.

2018-04-01

The X-ray narrow emission line region (NELR) of the archetypal Seyfert 1 galaxy NGC 5548 has been interpreted as a single-phase photoionized plasma that is absorbed by some of the warm absorber components. This scenario requires those overlaying warm absorber components to have larger distance (to the central engine) than the X-ray NELR, which is not fully consistent with the distance estimates found in the literature. Therefore, we reanalyze the high-resolution spectra obtained in 2013-2014 with the Reflection Grating Spectrometer (RGS) aboard XMM-Newton to provide an alternative interpretation of the X-ray narrow emission features. We find that the X-ray narrow emission features in NGC 5548 can be described by a two-phase photoionized plasma with different ionization parameters (logξ = 1.3 and 0.1) and kinematics (vout = -50 and -400 km s-1), and no further absorption by the warm absorber components. The X-ray and optical NELR might be the same multi-phase photoionized plasma. Both X-ray and optical NELR have comparable distances, asymmetric line profiles, and the underlying photoionized plasma is turbulent and compact in size. The X-ray NELR is not the counterpart of the UV/X-ray absorber outside the line of sight because their distances and kinematics are not consistent. In addition, X-ray broad emission features that we find in the spectrum can be accounted for by a third photoionized emission component. The RGS spectrum obtained in 2016 is analyzed as well, where the luminosity of most prominent emission lines (the O VII forbidden line and O VIII Lyα line) are the same (at a 1σ confidence level) as in 2013-2014.

Charge separation in photoredox reactions. Technical progress report, May 1, 1981-May 1, 1984. [N,N,N',N'-tetramethylbenzidine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kevan, L.

1984-05-01

The structural aspects controlling charge separation in molecular photoionization reactions in organized molecular assemblies involving micelles and vesicles are being studied by optical and electron magnetic resonance techniques including the time domain technique of electron spin echo modulation (ESEM). Photoionization of N,N,N',N'-tetramethylbenzidine (TMB) to give the cation radical has been carried out in both liquid and frozen micellar and vesicular solutions. Cation-water interactions have been detected by ESEM analysis and indicate that the cation is localized asymmetrically within these organized molecular assemblies. x-Doxylstearic acid spin probes have been used to determine that the neutral TMB molecule before photoionization is alsomore » localized asymmetrically within such organized molecular assemblies. Electron spin echo detection of laser photogenerated TMB cation in liquid micellar solutions gives a direct measurement of the phase memory magnetic relaxation time which gives additional structural information. The photoionization efficiency has been related to cation-water interactions measured by ESEM. The photoionization efficiency is also dependent on surface charge and is about twofold greater in cationic micelles and vesicles compared to anionic micelles and vesicles. TMB is in a less polar environment in vesicles compared to micelles consistent with ESEM results. The preferential adsorption of metal species at micellar surfaces has been detected by ESEM. Modifications in the micelle surface have been effected by added salts and varying counterions which have been related to cation-water interactions and to the TMB photoionization efficiency. Corresponding changes in the surface and internal micellar structure have been investigated by x-doxylstearic acid spin probes and specifically deuterated surfactants. The decay kinetics of TMB cations in micelles have been interpreted in terms of a time dependent rate constant.« less

Effect of added sodium chloride on the molecular environment and photoionization of N,N,N',N'-tetramethylbenzidine in micellar solutions as studied by electron spin echo and electron spin resonance spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maldonado, R.; Kevan, L.; Szajdzinska-Pietek, E.

1984-11-01

The electron spin echo modulation (ESEM) and electron spin resonance (ESR) spectra of the cation radical of N,N,N',N'-tetramethylbenzidine (TMB) in frozen sodium dodecyl sulfate (SDS)= and dodecyltrimethylammonium chloride (DTAC) micelles were studied as a function of sodium chloride concentration. TMB/sup +center-dot/ was produced by photoionization at 350 nm of the parent compound in the micelles at 77 K. From the ESEM analysis it is found that the cation--water interactions increase with salt addition in both anionic and cationic micelles to a maximum near 0.2 M NaCl and then decrease somewhat. The increase is interpreted in terms of an increase inmore » the water density at the micellar surface due to an increased surface concentration of hydrated counterions. The decrease may be due to TMB moving further from the polar micellar surface with added salt. From ESR spectra the photoionization yields of TMB at 77 K were determined. For DTAC micelles the yields are found to decrease with salt addition as expected from electrostatic considerations. For SDS micelles the photoionization yields increase for salt concentrations up to about 0.15 M and decrease for greater salt concentrations up to 0.5 M. The initial increase in cation yield correlates with electrostatic expectations. The decrease may be due to TMB moving further from the polar micellar surface with added salt. The possible effect of differing TMB protonation equilibria between anionic and cationic micelles on the photoionization yields was found to be unimportant by adjusting the bulk solution pH. An important conclusion is that salt addition can be used to optimize charge separation for photoionized solutes in anionic micelles.« less

Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product.

PubMed

Trevitt, Adam J; Soorkia, Satchin; Savee, John D; Selby, Talitha S; Osborn, David L; Taatjes, Craig A; Leone, Stephen R

2011-11-24

The gas-phase CN + propene reaction is investigated using synchrotron photoionization mass spectrometry (SPIMS) over the 9.8-11.5 eV photon energy range. Experiments are conducted at room temperature in 4 Torr of He buffer gas. The CN + propene addition reaction produces two distinct product mass channels, C(3)H(3)N and C(4)H(5)N, corresponding to CH(3) and H elimination, respectively. The CH(3) and H elimination channels are measured to have branching fractions of 0.59 ± 0.15 and 0.41 ± 0.10, respectively. The absolute photoionization cross sections between 9.8 and 11.5 eV are measured for the three considered H-elimination coproducts: 1-, 2-, and 3-cyanopropene. Based on fits using the experimentally measured photoionization spectra for the C(4)H(5)N mass channel and contrary to the previous study (Int. J. Mass. Spectrom.2009, 280, 113-118), where it was concluded that 3-cyanopropene was not a significant product, the new data suggests 3-cyanopropene is produced in significant quantity along with 1-cyanopropene, with isomer branching fractions from this mass channel of 0.50 ± 0.12 and 0.50 ± 0.24, respectively. However, similarities between the 1-, 2-, and 3-cyanopropene photoionization spectra make an unequivocal assignment difficult based solely on photoionization spectra. The CN + CH(2)CHCD(3) reaction is studied and shows, in addition to the H-elimination product signal, a D-elimination product channel (m/z 69, consistent with CH(2)CHCD(2)CN), providing further evidence for the formation of the 3-cyanopropene reaction product.

Photoionized Plasma and Opacity Experiments on the Z Machine

NASA Astrophysics Data System (ADS)

Bailey, James

2008-04-01

Laboratory experiments at Z use high energy density to create plasma conditions similar to extreme astrophysical environments, including stellar interiors and accretion powered objects. The importance of radiation unifies these topics, even though the plasmas involved are very different. Understanding stellar interiors requires knowledge of radiation transport in dense, hot, collision-dominated plasma. A Z x-ray source was used to measure iron plasma transmission at 156 eV electron temperature, 2x higher than in prior work. The data provide the first experimental tests of absorption features critical for stellar interior opacity models and may provide insight into whether the present discrepancy between solar models and helioseismology originates in opacity model deficiencies or in some other aspect of the solar model. In contrast, accretion physics requires interpretation of x-ray spectra from lower density photoionization-dominated plasma. Exploiting astrophysical spectra requires a spectral model that connects the observations with a model that describes the overall picture of the astrophysical object. However, photoionized plasma spectral models are largely untested. Z-pinch radiation was used to create photoionized iron and neon plasmas with photoionization parameter 5-25 erg cm /s. Comparisons with the data improve x-ray photoionization models and promote more accurate interpretation of spectra acquired with astrophysical observatories. The prospects for new experiments at the higher radiation powers provided by the recently upgraded Z facility will be described.* In collaboration with scientists from CEA, LANL, LLNL, Oxford, Prism, Queens University, Swarthmore College, U. Nevada Reno, and Sandia ++Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000.

Anomalous Decimeter Radio Noise from the Region of the Atmospheric Front: I. Characteristics of the Detected Radio Noise and Meteorological Parameters of the Frontal Cloudiness

NASA Astrophysics Data System (ADS)

Klimenko, V. V.; Mareev, E. A.

2018-03-01

An extraordinary experimental fact is presented and analyzed, namely, a rather intense broadband radio noise detected during the passage of an atmospheric front through the field of view of UHF antennas. Local atmospheric properties and possible sources of the extraordinary noise, including the thermal noise from cloudiness and extra-atmospheric sources, are considered. A conclusion is made about the presence of an additional nonthermal source of radio noise in the frontal cloudiness. According to the proposed hypothesis, these are multiple electric microdicharges on hydrometeors in the convective cloud.

Photoionization of Atoms and Molecules using a Configuration-Average Distorted-Wave Method

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Balance, C. P.; Loch, S. D.; Ludlow, J. A.

2011-05-01

A configuration-average distorted-wave method is applied to calculate the photoionization cross section for the outer subshells of the C atom and the C2 diatomic molecule. Comparisions are made with previous R-matrix and Hartree- Fock distorted-wave calculations.

Effects of cloudiness on global and diffuse UV irradiance in a high-mountain area

NASA Astrophysics Data System (ADS)

Blumthaler, M.; Ambach, W.; Salzgeber, M.

1994-03-01

At the high-mountain station Jungfraujoch (3576 m a.s.l., Switzerland), measurements of the radiation fluxes were made during 16 periods of six to eight weeks by means of a Robertson—Berger sunburn meter (UVB data), an Eppley UVA radiometer and an Eppley pyranometer. Cloudiness, opacity and altitude of clouds were recorded at 30-minute intervals. A second set of instruments was employed for separate measurement of the diffuse radiation fluxes using shadow bands. The global and diffuse UVA- and UVB radiation fluxes change less with cloudiness than the corresponding total radiation fluxes. When the sun is covered by clouds, the global UVA- and UVB radiation fluxes are also affected less than the global total radiation flux. The roughly equal influence of cloudiness on the UVA- and UVB radiation fluxes suggests that the reduction is influenced more by scattering than by ozone. Also, the share of diffuse irradiance in global irradiance is considerably higher for UVA- and UVB irradiance than for total irradiance. At 50° solar elevation and 0/10 cloudiness, the share is 39% for UVB irradiance, 34% for UVA irradiance and 11% for total irradiance. The increased aerosol turbidity after the eruptions of El Chichon and Pinatubo has caused a significant increase in diffuse total irradiance but has not produced any significant changes in diffuse UVA- and UVB irradiances.

Photoionization in the halo of the Galaxy

NASA Technical Reports Server (NTRS)

Bregman, Joel N.; Harrington, J. Patrick

1986-01-01

The ionizing radiation field in the halo is calculated and found to be dominated in the 13.6-45 eV range by light from O-B stars that escapes the disk, by planetary nebulae at 45-54 eV, by quasars and the Galactic soft X-ray background at 54-2000 eV, and by the extragalactic X-ray background at higher energies. Photoionization models are calculated with this radiation field incident on halo clouds of constant density for a variety of densities, for normal and depleted abundances, and with variations of the incident spectrum. For species at least triply ionized, such as Si IV, C IV, N V, and O VI, the line ratios are determined by intervening gas with the greatest volume, which is not necessarily the greatest mass component. Column densities from doubly ionized species like Si III should be greater than from triply ionized species. The role of photoionized gas in cosmic ray-supported halos and Galactic fountains is discussed. Observational tests of photoionization models are suggested.

Hydroxyacetone production from C 3 Criegee intermediates

DOE PAGES

Taatjes, Craig A.; Liu, Fang; Rotavera, Brandon; ...

2016-12-21

Hydroxyacetone (CH 3C(O)CH 2OH) is observed as a stable end product from reactions of the (CH 3) 2COO Criegee intermediate, acetone oxide, in a flow tube coupled with multiplexed photoionization mass spectrometer detection. In the experiment, the isomers at m/z = 74 are distinguished by their different photoionization spectra and reaction times. Hydroxyacetone is observed as a persistent signal at longer reaction times at a higher photoionization threshold of ca. 9.7 eV than Criegee intermediate and definitively identified by comparison with the known photoionization spectrum. Complementary electronic structure calculations reveal multiple possible reaction pathways for hydroxyacetone formation, including unimolecular isomerizationmore » via hydrogen atom transfer and –OH group migration as well as self-reaction of Criegee intermediates. Varying the concentration of Criegee intermediates suggests contributions from both unimolecular and self-reaction pathways to hydroxyacetone. As a result, the hydroxyacetone end product can provide an effective, stable marker for the production of transient Criegee intermediates in future studies of alkene ozonolysis.« less

Femtosecond pump-probe photoionization-photofragmentation spectroscopy: photoionization-induced twisting and coherent vibrational motion of azobenzene cation.

PubMed

Ho, Jr-Wei; Chen, Wei-Kan; Cheng, Po-Yuan

2009-10-07

We report studies of ultrafast dynamics of azobenzene cation using femtosecond photoionization-photofragmentation spectroscopy. In our experiments, a femtosecond pump pulse first produces an ensemble of azobenzene cations via photoionization of the neutrals. A delayed probe pulse then brings the evolving ionic system to excited states that ultimately undergo ion fragmentation. The dynamics is followed by monitoring either the parent-ion depletion or fragment-ion formation as a function of the pump-probe delay time. The observed transients for azobenzene cation are characterized by a constant ion depletion modulated by a rapidly damped oscillatory signal with a period of about 1 ps. Theoretical calculations suggest that the oscillation arises from a vibration motion along the twisting inversion coordinate involving displacements in CNNC and phenyl-ring torsions. The oscillation is damped rapidly with a time constant of about 1.2 ps, suggesting that energy dissipation from the active mode to bath modes takes place in this time scale.

Vacuum Ultraviolet Photoionization of Complex Chemical Systems

DOE PAGES

Kostko, Oleg; Bandyopadhyay, Biswajit; Ahmed, Musahid

2016-02-24

Tunable vacuum ultraviolet (VUV) radiation coupled to mass spectrometry is applied to the study of complex chemical systems in this paper. The identification of novel reactive intermediates and radicals is revealed in flame, pulsed photolysis, and pyrolysis reactors, leading to the elucidation of spectroscopy, reaction mechanisms, and kinetics. Mass-resolved threshold photoelectron photoion coincidence measurements provide unprecedented access to vibrationally resolved spectra of free radicals present in high-temperature reactors. Photoionization measurements in water clusters, nucleic acid base dimers, and their complexes with water provide signatures of proton transfer in hydrogen-bonded and π-stacked systems. Experimental and theoretical methods to track ion–molecule reactionsmore » and fragmentation pathways in intermolecular and intramolecular hydrogen-bonded systems in sugars and alcohols are described. Photoionization of laser-ablated molecules, clusters, and their reaction products inform thermodynamics and spectroscopy that are relevant to astrochemistry and catalysis. Finally, new directions in coupling VUV radiation to interrogate complex chemical systems are discussed.« less

Plasma diagnostics for x-ray driven foils at Z

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heeter, R F; Bailey, J E; Cuneo, M E

We report the development of techniques to diagnose plasmas produced by X-ray photoionization of thin foils placed near the Z-pinch on the Sandia Z Machine. The development of 100+ TW X-ray sources enables access to novel plasma regimes, such as the photoionization equilibrium. To diagnose these plasmas one must simultaneously characterize both the foil and the driving pinch. The desired photoionized plasma equilibrium is only reached transiently for a 2-ns window, placing stringent requirements on diagnostic synchronization. We have adapted existing Sandia diagnostics and fielded an additional gated 3-crystal Johann spectrometer with dual lines of sight to meet these requirements.more » We present sample data from experiments in which 1 cm, 180 eV tungsten pinches photoionized foils composed of 200{angstrom} Fe and 300{angstrom} NaF co-mixed and sandwiched between 1000{angstrom} layers of Lexan (CHO), and discuss the application of this work to benchmarking astrophysical models.« less

Plasma diagnostics for x-ray driven foils at Z

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heeter, R. F.; Bailey, J. E.; Cuneo, M. E.

We report the development of techniques to diagnose plasmas produced by x-ray photoionization of thin foils placed near the Z-pinch on the Sandia Z Machine. The development of 100+ TW x-ray sources enables access to novel plasma regimes, such as the photoionization equilibrium. To diagnose these plasmas one must simultaneously characterize both the foil and the driving pinch. The desired photoionized plasma equilibrium is only reached transiently for a 2-ns window, placing stringent requirements on diagnostic synchronization. We have adapted existing Sandia diagnostics and fielded an additional gated three-crystal Johann spectrometer with dual lines of sight to meet these requirements.more » We present sample data from experiments using 1-cm, 180-eV tungsten pinches to photoionize foils made of 200 Aa Fe and 300 Aa NaF co-mixed and sandwiched between 1000 Aa layers of Lexan (C16H14O3), and discuss the application of this work to benchmarking astrophysical models.« less

The Iron Project & Iron Opacity Project: Updates on Photoionization, Electron-Ion Recombination of Fe XVII and Ca XV

NASA Astrophysics Data System (ADS)

Eissner, W.; Nahar, S.; Pradhan, A.; Hala, H.; Zhao, L.; Bailey, J.

2016-05-01

We have carried out converged close coupling (CCC) calculations for photoionization of Ne-like Fe XVII and demonstrate orders-of-magnitude enhancements in cross section due to successive core excitations. Convergence criteria are: (i) inclusion of sufficient number of residual ion Fe XVIII core states and (ii) high-resolution of myriad autoionizing resonances. We discuss verification of the conventional oscillator strength sum-rule in limited energy regions for bound-free plasma opacity. We will also report preliminary results from a larger R-matrix calculations of photoionization cross sections and electron-ion recombination rates of Ca XV where Rydberg series of resonances are included for core excitations to 28 states of n=2,3 complexes in contrast to previous 7 states of n=2 complex. The new results show existence of high-peak resonances of n=3 complex and enhanced background in high energy photoionization and a corresponding enhancement in the recombination in the high temperature region. Partial support: NSF, DOE, Ohio Supercomputer Center.

Interchannel Coupling in the Photoionization of Atoms and Ions in the X-Ray Range

NASA Technical Reports Server (NTRS)

Manson, Steven T.; Chakraborty, Himadri S.; Deshmukh, Pranawa C.

2002-01-01

To understand how this interchannel coupling, so important in neutral atoms, applies to positive ions, a research program has been initiated to deal with this question, i.e., a program to quantify the effects of interchannel coupling in ionic photoionization, thereby assessing existing photoionization data bases in the x-ray region. To accomplish this task, we have employed the Relativistic Random-Phase-Approximation (RRPA) methodology which includes significant aspects of electron-electron correlation, including interchannel coupling. The RRPA methodology has been found to produce excellent agreement with experiment for neutral Ne at photon energies in the 1 keV range.

Double photoionization of the Be isoelectronic sequence

NASA Astrophysics Data System (ADS)

Barmaki, S.; Albert, M. A.; Belliveau, J.; Laulan, S.

2018-05-01

We investigate the double photoionization (DPI) process along the Be isoelectronic sequence (Be‑Ne6+) by solving the time-dependent Schrödinger equation with a spectral method of configuration interaction type. The results that we obtain of the DPI cross sections are in a good agreement with other reported data. We also present the first results of double-to-single photoionization cross sections ratios for Be-like ions in support of possible photofragmentation experiments with x-ray free electron lasers. Finally, we probe the mutual interaction of the valence electrons at different photon energies and examine the subsequent redistribution of the excess photon energy among them.

Effect of attochirp on attosecond streaking time delay in photoionization of atoms

NASA Astrophysics Data System (ADS)

Goldsmith, C.; Jaroń-Becker, A.; Becker, A.

2018-01-01

We present a theoretical analysis of the effect of the attochirp on the streaking time delay, intrinsic to photoionization of an atom by an attosecond laser pulse at extreme ultraviolet wavelengths superposed by a femtosecond streaking pulse. To this end, we determine the expectation value of the delay in a chirped pulse using a recently developed model formula. Results of our calculations show that the attochirp can be relevant for photoemission from the 3p shell in argon atom at frequencies near the Cooper minimum, while it is negligible if the photoionization cross section as a function of frequency varies smoothly.

Photoionization of sodium atoms and electron scattering from ionized sodium

NASA Technical Reports Server (NTRS)

Dasgupta, A.; Bhatia, A. K.

1985-01-01

The polarized-orbital method of Temkin (1957) is applied using polarized orbitals determined from Sternheimer's equation to compute the photoionization cross sections of Na atoms from threshold to about 60 eV. The approximations involved in the analysis are explained in detail; the explicit forms of the integrals and matrix expressions are given in appendices; and the results are presented in tables and graphs. Good agreement is found with the results of Chang and Kelly (1975), and the possibility that small amounts of molecular vapor in Na-photoionization experiments are responsible for the discrepancies between calculated and measured cross sections is considered.

The production of CO(+) (B2Sigma +) from dissociative photoionization excitation of CO2

NASA Technical Reports Server (NTRS)

Wu, C. Y. R.; Judge, D. L.

1986-01-01

The dissociative photoionization excitation process in CO2 is studied. In contrast to previous studies, attention is focused on the vibrational and rotational levels produced in fragment ions, partial cross-section measurements for producing such fragment ions in a specific quantum state, and the mechanisms that govern the dissociative ionization excitation processes. The partial fluorescence cross section for the production of CO(+) (B2Sigma +) from CO2 over a wide wavelength range was measured. It is concluded that the production of the CO(+) (B2Sigma +) fragment near the threshold is through a direct dissociative photoionization process.

Coincidence measurements following 2p photoionization in Mg

NASA Astrophysics Data System (ADS)

Sokell, E.; Bolognesi, P.; Safgren, S.; Avaldi, L.

2014-04-01

Triple Differential Cross-Section (TDCS) measurements have been made to investigate the 2p pho-toionization of Magnesium. In the experiment the photoelectron and the L3-M1M1 Auger electron have been detected in coincidence at four distinct photon energies from 7 to 40 eV above the 2p threshold. Auger decay is usually treated as a two-step process, where the intermediate single hole-state makes the link between the pho-toionization and decay processes. These measurements allow the investigation of the process as a function of excess energy, and specifically to test the validity of the two-step model as the ionization threshold is approached.

Operational data fusion framework for building frequent Landsat-like imagery in a cloudy region

USDA-ARS?s Scientific Manuscript database

An operational data fusion framework is built to generate dense time-series Landsat-like images for a cloudy region by fusing Moderate Resolution Imaging Spectroradiometer (MODIS) data products and Landsat imagery. The Spatial and Temporal Adaptive Reflectance Fusion Model (STARFM) is integrated in ...

The updated bottom up solution applied to atmospheric pressure photoionization and electrospray ionization mass spectrometry

USDA-ARS?s Scientific Manuscript database

The Updated Bottom Up Solution (UBUS) was recently applied to atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) of triacylglycerols (TAGs). This report demonstrates that the UBUS applies equally well to atmospheric pressure photoionization (APPI) MS and to electrospray ionizatio...

Photoionization of Trapped Carriers in Avalanche Photodiodes to Reduce Afterpulsing During Geiger-Mode Photon Counting

NASA Technical Reports Server (NTRS)

Krainak, Michael A.

2005-01-01

We reduced the afterpulsing probability by a factor of five in a Geiger-mode photon-counting InGaAs avalanche photodiode by using sub-band-gap (lambda = 1.95 micron) laser diode illumination, which we believe photoionizes the trapped carriers.

Addressing the [O III] / Hβ offset in metal poor star forming galaxies found in the RESOLVE survey and ECO catalog

NASA Astrophysics Data System (ADS)

Richardson, Chris T.; Kannappan, Sheila; Moffett, Amanda J.; RESOLVE survey team

2018-06-01

Metal poor star forming galaxies sit on the far left wing of the BPT diagram just below traditional demarcation lines. The basic approach to reproducing their emission lines by coupling photoionization models to stellar population synthesis models underestimates the observed [O III] / Hβ ratio by a factor 0.3-0.5 dex. We classified galaxies as metal poor in the REsolved Spectroscopy of a Local VolumE (RESOLVE) survey and the Environmental COntext (ECO) catalog by using the IZI code based off of Bayesian inference. We used a variety of stellar population synthesis codes to generate SEDs covering a range of starburst ages and metallicities including both secular and binary stellar evolution. Here, we show that multiple SPS codes can produce SEDs hard enough to reduce the offset assuming that simple, and perhaps unjustified, nebular conditions hold. Adopting more realistic nebular conditions shows that, despite the recent emphasis placed on binary evolution to fit high O III ratios, none of our SEDs can reduce the offset. We propose several new solutions including using ensembles of nebular clouds and improved microphysics to address this issue. This work is supported by National Science Foundation awards OCI-1053575, though XSEDE award TG-AST140040, and NSF awards AST-0955368 and CISE/ACI-1156614.

Fundamental mechanisms of laser damage of dielectric crystals by ultrashort pulse: ionization dynamics for the Keldysh model

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2014-12-01

Laser-induced ionization is a major process that initiates and drives the initial stages of laser-induced damage (LID) of high-quality transparent solids. The ionization and its contribution to LID are characterized in terms of the time-dependent ionization rate and conduction-band electron density. Considering femtosecond pulses of various durations (from 35 to 706 fs) and variable peak irradiances (from 0.01 to 60 TW/cm2), we use a single-rate equation to simulate time variations of conduction-band electron density and rates of the photoionization and impact ionization. The photoionization rate is evaluated with the Keldysh equation. At low irradiance, the electron density and total ionization rate demonstrate power scaling characteristic of multiphoton ionization. With the increase of irradiance, there is observed a saturation of the photoionization rate due to photoionization suppression by the Keldysh-type singularity during the increase in the number of simultaneously absorbed photons by 1. A striking result is that the saturation is followed by a stepwise transition from the ionization regime which is completely dominated by the photoionization to a regime totally dominated by the impact ionization. The transition results in the increase of the electron density by a few orders of magnitude induced by a variation of peak laser irradiance by about 15% to 20%. The physical effects that are involved are discussed.

Photoionization modelling of the giant broad-line region in NGC 3998

NASA Astrophysics Data System (ADS)

Devereux, Nick

2018-01-01

Prior high angular resolution spectroscopic observations of the Low-ionization nuclear emission-line region (Liner) in NGC 3998 obtained with the Space Telescope Imaging Spectrograph (STIS) aboard the Hubble Space Telescope (HST) revealed a rich UV-visible spectrum consisting of broad permitted and broad forbidden emission lines. The photoionization code XSTAR is employed together with reddening-insensitive emission line diagnostics to constrain a dynamical model for the broad-line region (BLR) in NGC 3998. The BLR is modelled as a large H+ region ∼ 7 pc in radius consisting of dust-free, low-density ∼ 104 cm-3, low-metallicity ∼ 0.01 Z/Z⊙ gas. Modelling the shape of the broad H α emission line significantly discriminates between two independent measures of the black hole (BH) mass, favouring the estimate of de Francesco, Capetti & Marconi (2006). Interpreting the broad H α emission line in terms of a steady-state spherically symmetric inflow leads to a mass inflow rate of 1.4 × 10-2 M⊙ yr-1, well within the present uncertainty of calculations that attempt to explain the observed X-ray emission in terms of an advection-dominated accretion flow (ADAF). Collectively, the model provides an explanation for the shape of the H α emission line, the relative intensities and luminosities for the H Balmer, [O III], and potentially several of the broad UV emission lines, as well as refining the initial conditions needed for future modelling of the ADAF.

Evolutionary Models of Cold, Magnetized, Interstellar Clouds

NASA Technical Reports Server (NTRS)

Gammie, Charles F.; Ostriker, Eve; Stone, James M.

2004-01-01

We modeled the long-term and small-scale evolution of molecular clouds using direct 2D and 3D magnetohydrodynamic (MHD) simulations. This work followed up on previous research by our group under auspices of the ATP in which we studied the energetics of turbulent, magnetized clouds and their internal structure on intermediate scales. Our new work focused on both global and smallscale aspects of the evolution of turbulent, magnetized clouds, and in particular studied the response of turbulent proto-cloud material to passage through the Galactic spiral potential, and the dynamical collapse of turbulent, magnetized (supercritical) clouds into fragments to initiate the formation of a stellar cluster. Technical advances under this program include developing an adaptive-mesh MHD code as a successor to ZEUS (ATHENA) in order to follow cloud fragmentation, developing a shearing-sheet MHD code which includes self-gravity and externally-imposed gravity to follow the evolution of clouds in the Galactic potential, and developing radiative transfer models to evaluate the internal ionization of clumpy clouds exposed to external photoionizing UV and CR radiation. Gammie's work at UIUC focused on the radiative transfer aspects of this program.

The Los Alamos suite of relativistic atomic physics codes

DOE PAGES

Fontes, C. J.; Zhang, H. L.; Jr, J. Abdallah; ...

2015-05-28

The Los Alamos SuitE of Relativistic (LASER) atomic physics codes is a robust, mature platform that has been used to model highly charged ions in a variety of ways. The suite includes capabilities for calculating data related to fundamental atomic structure, as well as the processes of photoexcitation, electron-impact excitation and ionization, photoionization and autoionization within a consistent framework. These data can be of a basic nature, such as cross sections and collision strengths, which are useful in making predictions that can be compared with experiments to test fundamental theories of highly charged ions, such as quantum electrodynamics. The suitemore » can also be used to generate detailed models of energy levels and rate coefficients, and to apply them in the collisional-radiative modeling of plasmas over a wide range of conditions. Such modeling is useful, for example, in the interpretation of spectra generated by a variety of plasmas. In this work, we provide a brief overview of the capabilities within the Los Alamos relativistic suite along with some examples of its application to the modeling of highly charged ions.« less

Mass-Selective Laser Photoionization.

ERIC Educational Resources Information Center

Smalley, R. E.

1982-01-01

Discusses the nature and applications of mass-selective laser photoionization. The ionization can be done with a single intense laser pulse lasting a few billionths of a second with no molecular fragmentation. Applications focus on: (1) benzene clusters, excimers, and exciplexes; (2) metal clusters; and (3) triplet formation and decay. (Author/JN)

Photoelectron spectroscopy of heavy atoms and molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, M.G.

1979-07-01

The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target.

Validation of Nimbus-7 temperature-humidity infrared radiometer estimates of cloud type and amount

NASA Technical Reports Server (NTRS)

Stowe, L. L.

1982-01-01

Estimates of clear and low, middle and high cloud amount in fixed geographical regions approximately (160 km) squared are being made routinely from 11.5 micron radiance measurements of the Nimbus-7 Temperature-Humidity Infrared Radiometer (THIR). The purpose of validation is to determine the accuracy of the THIR cloud estimates. Validation requires that a comparison be made between the THIR estimates of cloudiness and the 'true' cloudiness. The validation results reported in this paper use human analysis of concurrent but independent satellite images with surface meteorological and radiosonde observations to approximate the 'true' cloudiness. Regression and error analyses are used to estimate the systematic and random errors of THIR derived clear amount.

An energy balance climate model with cloud feedbacks

NASA Technical Reports Server (NTRS)

Roads, J. O.; Vallis, G. K.

1984-01-01

The present two-level global climate model, which is based on the atmosphere-surface energy balance, includes physically based parameterizations for the exchange of heat and moisture across latitude belts and between the surface and the atmosphere, precipitation and cloud formation, and solar and IR radiation. The model field predictions obtained encompass surface and atmospheric temperature, precipitation, relative humidity, and cloudiness. In the model integrations presented, it is noted that cloudiness is generally constant with changing temperature at low latitudes. High altitude cloudiness increases with temperature, although the cloud feedback effect on the radiation field remains small because of compensating effects on thermal and solar radiation. The net global feedback by the cloud field is negative, but small.

Massive-Star Magnetospheres: Now in 3-D!

NASA Astrophysics Data System (ADS)

Townsend, Richard

Magnetic fields are unexpected in massive stars, due to the absence of a dynamo convection zone beneath their surface layers. Nevertheless, kilogauss-strength, ordered fields were detected in a small subset of these stars over three decades ago, and the intervening years have witnessed the steady expansion of this subset. A distinctive feature of magnetic massive stars is that they harbor magnetospheres --- circumstellar environments where the magnetic field interacts strongly with the star's radiation-driven wind, confining it and channelling it into energetic shocks. A wide range of observational signatures are associated with these magnetospheres, in diagnostics ranging from X-rays all the way through to radio emission. Moreover, these magnetospheres can play an important role in massive-star evolution, by amplifying angular momentum loss in the wind. Recent progress in understanding massive-star magnetospheres has largely been driven by magnetohydrodynamical (MHD) simulations. However, these have been restricted to two- dimensional axisymmetric configurations, with three-dimensional configurations possible only in certain special cases. These restrictions are limiting further progress; we therefore propose to develop completely general three-dimensional models for the magnetospheres of massive stars, on the one hand to understand their observational properties and exploit them as plasma-physics laboratories, and on the other to gain a comprehensive understanding of how they influence the evolution of their host star. For weak- and intermediate-field stars, the models will be based on 3-D MHD simulations using a modified version of the ZEUS-MP code. For strong-field stars, we will extend our existing Rigid Field Hydrodynamics (RFHD) code to handle completely arbitrary field topologies. To explore a putative 'photoionization-moderated mass loss' mechanism for massive-star magnetospheres, we will also further develop a photoionization code we have recently prototyped. Simulation data from these codes will be used to synthesize observables, suitable for comparison with datasets from ground- and space-based facilities. Project results will be disseminated in the form of journal papers, presentations, data and visualizations, to facilitate the broad communication of our results. In addition, we will release the project codes under an open- source license, to encourage other groups' involvement in modeling massive-star magnetospheres. Through furthering our insights into these magnetospheres, the project is congruous with NASA's Strategic Goal 2, 'Expand scientific understanding of the Earth and the universe in which we live'. By making testable predictions of X-ray emission and UV line profiles, it is naturally synergistic with observational studies of magnetic massive stars using NASA's ROSAT, Chandra, IUE and FUSE missions. By exploring magnetic braking, it will have a direct impact on theoretical predictions of collapsar yields, and thereby help drive forward the analysis and interpretation of gamma-ray burst observations by NASA's Swift and Fermi missions. And, through its general contribution toward understanding the lifecycle of massive stars, the project will complement the past, present and future investments in studying these stars using NASA's other space-based observatories.

The Cloud Feedback Model Intercomparison Project Observational Simulator Package: Version 2

NASA Astrophysics Data System (ADS)

Swales, Dustin J.; Pincus, Robert; Bodas-Salcedo, Alejandro

2018-01-01

The Cloud Feedback Model Intercomparison Project Observational Simulator Package (COSP) gathers together a collection of observation proxies or satellite simulators that translate model-simulated cloud properties to synthetic observations as would be obtained by a range of satellite observing systems. This paper introduces COSP2, an evolution focusing on more explicit and consistent separation between host model, coupling infrastructure, and individual observing proxies. Revisions also enhance flexibility by allowing for model-specific representation of sub-grid-scale cloudiness, provide greater clarity by clearly separating tasks, support greater use of shared code and data including shared inputs across simulators, and follow more uniform software standards to simplify implementation across a wide range of platforms. The complete package including a testing suite is freely available.

The Exoplanet Cloud Atlas

NASA Astrophysics Data System (ADS)

Gao, Peter; Marley, Mark S.; Morley, Caroline; Fortney, Jonathan J.

2017-10-01

Clouds have been readily inferred from observations of exoplanet atmospheres, and there exists great variability in cloudiness between planets, such that no clear trend in exoplanet cloudiness has so far been discerned. Equilibrium condensation calculations suggest a myriad of species - salts, sulfides, silicates, and metals - could condense in exoplanet atmospheres, but how they behave as clouds is uncertain. The behavior of clouds - their formation, evolution, and equilibrium size distribution - is controlled by cloud microphysics, which includes processes such as nucleation, condensation, and evaporation. In this work, we explore the cloudy exoplanet phase space by using a cloud microphysics model to simulate a suite of cloud species ranging from cooler condensates such as KCl/ZnS, to hotter condensates like perovskite and corundum. We investigate how the cloudiness and cloud particle sizes of exoplanets change due to variations in temperature, metallicity, gravity, and cloud formation mechanisms, and how these changes may be reflected in current and future observations. In particular, we will evaluate where in phase space could cloud spectral features be observable using JWST MIRI at long wavelengths, which will be dependent on the cloud particle size distribution and cloud species.

How Well Can Infrared Sounders Observe the Atmosphere and Surface Through Clouds?

NASA Technical Reports Server (NTRS)

Zhou, Daniel K.; Larar, Allen M.; Liu, Xu; Smith, William L.; Strow, L. Larrabee; Yang, Ping

2010-01-01

Infrared sounders, such as the Atmospheric Infrared Sounder (AIRS), the Infrared Atmospheric Sounding Interferometer (IASI), and the Cross-track Infrared sounder (CrIS), have a cloud-impenetrable disadvantage in observing the atmosphere and surface under opaque cloudy conditions. However, recent studies indicate that hyperspectral, infrared sounders have the ability to detect cloud effective-optical and microphysical properties and to penetrate optically thin clouds in observing the atmosphere and surface to a certain degree. We have developed a retrieval scheme dealing with atmospheric conditions with cloud presence. This scheme can be used to analyze the retrieval accuracy of atmospheric and surface parameters under clear and cloudy conditions. In this paper, we present the surface emissivity results derived from IASI global measurements under both clear and cloudy conditions. The accuracy of surface emissivity derived under cloudy conditions is statistically estimated in comparison with those derived under clear sky conditions. The retrieval error caused by the clouds is shown as a function of cloud optical depth, which helps us to understand how well infrared sounders can observe the atmosphere and surface through clouds.

Photoionization of Li2

NASA Astrophysics Data System (ADS)

Li, Y.; Pindzola, M. S.; Ballance, C. P.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Li2 are calculated using a time-dependent close-coupling method. The correlation between the outer two electrons of Li2 is obtained by relaxation of the close-coupled equations in imaginary time. Propagation of the close-coupled equations in real time yields single and double photoionization cross sections for Li2. The two active electron cross sections are compared with one active electron distorted-wave and close-coupling results for both Li and Li2. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

The photoionization mechanism of LINERs - Stellar and nonstellar

NASA Technical Reports Server (NTRS)

Ho, Luis C.; Filippenko, Alexei V.

1993-01-01

We present high quality spectroscopic observations of a sample of 14 LINERs. Starlight removal is achieved by the subtraction of a suitable absorption-line 'template' galaxy, allowing accurate measurements of emission lines. We use these line fluxes to examine the possible excitation mechanisms of LINERs. We suggest that LINERs with weak forbidden O I 6300-A emission may be H II regions photoionized by unusually hot O-type stars. LINERs with forbidden O I/H-alpha approximately greater than 1/6 may be powered by photoionization from a nonstellar continuum. This is supported by the detection of broad H-alpha emission, a correlation between line width and critical density, and pointlike X-ray emission in several of these objects.

Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone.

PubMed

Price, Chelsea; Fathi, Yasmin; Meloni, Giovanni

2017-05-01

Absolute photoionization cross sections for cyclopentanone and cyclohexanone, as well as partial ionization cross sections for the dissociative ionized fragments, are presented in this investigation. Experiments are performed via a multiplexed photoionization mass spectrometer utilizing vacuum ultraviolet (VUV) synchrotron radiation supplied by the Advanced Light Source of Lawrence Berkeley National Laboratory. These results allow the quantification of these species that is relevant to investigate the kinetics and combustion reactions of potential biofuels. The CBS-QB3 calculated values for the adiabatic ionization energies agree well with the experimental values, and the identification of possible dissociative fragments is discussed for both systems. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Atomic Processes in X-ray Photoionized Gas

NASA Technical Reports Server (NTRS)

Kallman, Timothy

2005-01-01

It has long been known that photoionization and photoabsorption play a dominant role in determining the state of gas in nebulae surrounding hot stars and in active galaxies. Recent observations of X-ray spectra demonstrate that these processes are also dominant in highly ionized gas near compact objects, and also affect the transmission of X-rays from the majority of astronomical sources. This has led to new insights into the understanding of what is going on in these sources. It has also pointed out the need for a better atomic cross sections for photoionization and absorption, notably for processes involving inner shells. In this talk I will discuss these issues, what is known and where more work is needed.

Inner-shell/subshell photoionization cross section measurements using a gamma excited variable energy X-ray source

NASA Astrophysics Data System (ADS)

Sood, B. S.; Allawadhi, K. L.; Arora, S. K.

1982-02-01

The method developed for the determination of K/L shell photoionization cross sections in various elements, 39 ≤ Z ≤ 92, in the characteristic X-ray energy region using a gamma excited variable energy X-ray source has been used for the measurement of L III subshell photoionization cross sections in Pb, Th and U. The measurements are made at the K X-ray energies of Rb, Nb and Mo, since these are able to excite selectively the L III subshells of Pb, Th and U, respectively. The results, when compared with theoretical calculations of Scofield, are found to agree within the uncertainties of determination.

Radiative effects of biomass burning aerosols and cloudiness on seasonal carbon cycle in the Amazon region

NASA Astrophysics Data System (ADS)

Moreira, D. S.; Longo, K.; Freitas, S.; Mercado, L. M.; Miller, J. B.; Rosario, N. M. E. D.; Gatti, L.; Yamasoe, M. A.

2017-12-01

The Amazon region is characterized by high cloudiness, mainly due to convective clouds during most of the year due to the high humidity, and heat availability. However, during the Austral winter, the northward movement of the inter-tropical convergence zone (ITCZ) from its climatological position, significantly reducing cloudiness and precipitation, facilitating vegetation fires. Consequently, during these dry months, biomass burning aerosols contribute to relatively high values of aerosol optical depth (AOD) in Amazonia, typically exceeding 1.0 in the 550 nm wavelength. Both clouds and aerosols scatter solar radiation, reducing the direct irradiance and increasing the diffuse fraction that reaches the surface, decreasing near surface temperature and increasing photosynthetically active radiation (PAR) availability. This, in turn, affects energy and CO2 fluxes within the vegetation canopy. We applied an atmospheric model fully coupled to terrestrial carbon cycle model to assess the relative impact of biomass burning aerosols and clouds on CO2 fluxes in the Amazon region. Our results indicate that during most of the year, gross primary productivity (GPP) is high mainly due to high soil moisture and high values of the diffuse fraction of solar irradiation due to cloudiness. Therefore, heterotrophic and autotrophic respiration are both high, increasing the NEE values (i.e. reducing the net land sink). On the other hand, during the dry season, with a significant reduction of cloudiness, the biomass burning aerosol is mainly responsible for the increase in the diffuse fraction of solar irradiation and the GPP of the forest. However, the low soil moisture during the dry season, especially in the eastern Amazon, reduces heterotrophic and autotrophic respiration and thus compensates for reduced GPP compared to the wet season. Different reasons, an anthropogenic one (human induced fires during the dry season) and a natural one (cloudiness), lead to a somewhat stable value of NEE all year long in Amazonia.

Impact of aerosols and clouds on decadal trends in all-sky solar radiation over the Netherlands (1966-2015)

NASA Astrophysics Data System (ADS)

Boers, Reinout; Brandsma, Theo; Pier Siebesma, A.

2017-07-01

A 50-year hourly data set of global shortwave radiation, cloudiness and visibility over the Netherlands was used to quantify the contribution of aerosols and clouds to the trend in yearly-averaged all-sky radiation (1.81 ± 1.07 W m-2 decade-1). Yearly-averaged clear-sky and cloud-base radiation data show large year-to-year fluctuations caused by yearly changes in the occurrence of clear and cloudy periods and cannot be used for trend analysis. Therefore, proxy clear-sky and cloud-base radiations were computed. In a proxy analysis hourly radiation data falling within a fractional cloudiness value are fitted by monotonic increasing functions of solar zenith angle and summed over all zenith angles occurring in a single year to produce an average. Stable trends can then be computed from the proxy radiation data. A functional expression is derived whereby the trend in proxy all-sky radiation is a linear combination of trends in fractional cloudiness, proxy clear-sky radiation and proxy cloud-base radiation. Trends (per decade) in fractional cloudiness, proxy clear-sky and proxy cloud-base radiation were, respectively, 0.0097 ± 0.0062, 2.78 ± 0.50 and 3.43 ± 1.17 W m-2. To add up to the all-sky radiation the three trends have weight factors, namely the difference between the mean cloud-base and clear-sky radiation, the clear-sky fraction and the fractional cloudiness, respectively. Our analysis clearly demonstrates that all three components contribute significantly to the observed trend in all-sky radiation. Radiative transfer calculations using the aerosol optical thickness derived from visibility observations indicate that aerosol-radiation interaction (ARI) is a strong candidate to explain the upward trend in the clear-sky radiation. Aerosol-cloud interaction (ACI) may have some impact on cloud-base radiation, but it is suggested that decadal changes in cloud thickness and synoptic-scale changes in cloud amount also play an important role.

A parallel algorithm for Hamiltonian matrix construction in electron-molecule collision calculations: MPI-SCATCI

NASA Astrophysics Data System (ADS)

Al-Refaie, Ahmed F.; Tennyson, Jonathan

2017-12-01

Construction and diagonalization of the Hamiltonian matrix is the rate-limiting step in most low-energy electron - molecule collision calculations. Tennyson (1996) implemented a novel algorithm for Hamiltonian construction which took advantage of the structure of the wavefunction in such calculations. This algorithm is re-engineered to make use of modern computer architectures and the use of appropriate diagonalizers is considered. Test calculations demonstrate that significant speed-ups can be gained using multiple CPUs. This opens the way to calculations which consider higher collision energies, larger molecules and / or more target states. The methodology, which is implemented as part of the UK molecular R-matrix codes (UKRMol and UKRMol+) can also be used for studies of bound molecular Rydberg states, photoionization and positron-molecule collisions.

Reprocessing of Soft X-ray Emission Lines in Black Hole Accretion Disks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mauche, C W; Liedahl, D A; Mathiesen, B F

By means of a Monte Carlo code that accounts for Compton scattering and photoabsorption followed by recombination, we have investigated the radiation transfer of Ly{alpha}, He{alpha}, and recombination continua photons of H- and He-like C, N, O, and Ne produced in the photoionized atmosphere of a relativistic black hole accretion disk. We find that photoelectric opacity causes significant attenuation of photons with energies above the O VIII K-edge; that the conversion efficiencies of these photons into lower-energy lines and recombination continua are high; and that accounting for this reprocessing significantly (by factors of 21% to 105%) increases the flux ofmore » the Ly{alpha} and He{alpha} emission lines of H- and He-like C and O escaping the disk atmosphere.« less

Effects of Cloudiness on the Daily and Annual Radiation Balance: Elaboration on the Shartwave and Longwave Radiation

NASA Astrophysics Data System (ADS)

Malek, E.

2007-12-01

Clouds are visible masses of condensed droplets and frozen crystals of water in the atmosphere above the Earth. They make changes in the energy balance at local, regional, and planetary scales. They affect the climate by positive and negative feedback. To study these effects at local scale, we set up a radiation station which uses two CM21 Kipp & Zonen pyranometers (one inverted), and two CG1 Kipp & Zonen pyrgeometers (one inverted) in a semi-arid mountainous valley in Logan, Utah, U.S.A. The pyranometers and pyrgeometers were ventilated using four CV2 Kipp & Zonen ventilation systems. Ventilation of pyranometers and pyrgeometers prevents dew and frost and snow accumulation which otherwise would disturb the measurement. All sensors were installed at about 3 m above the ground, which is covered with natural vegetation during the growing season (May - September). The incoming (Rsi) and outgoing (Rso) solar or shortwave radiation, the incoming (Rli, atmospheric) and outgoing (Rlo, terrestrial) longwave radiation, along with the 2-m air temperature, humidity, and pressure have been continuously measured since 1995. We also measured the 3-m wind speed and direction, the surface temperature (using an IR thermometer) and precipitation (using a heated rain gauge). These parameters have been measured every 2 seconds and averaged into 20 minutes. For this study we chose three days: 6 April (a partially cloudy day), 29 July (a cloudless day), and 29 November (an overcast day), 2005, along with continuous study throughout the year 2005. We developed an algorithm for evaluation of cloudless-sky incoming (atmospheric) longwave radiation. Equations for cloudless-sky incoming shortwave and atmospheric longwave radiation were applied to compare the cloud-free measurements with the actual ones. Cloudless - measured incoming shortwave (solar) radiation is an indication of how much less radiation was received due to cloudiness (if any). Measured - cloudless incoming longwave (atmospheric) radiation shows the cloud (if any) contribution to the radiation budget. The results indicate that for the partial cloudy day of 6 April, 2005, cloudiness caused less shortwave radiation 23.29 - 13.76 = 9.53 MJ m-2 d-1 received at the surface. On the same day cloud contributed an additional radiation of 25.44 - 23.44 = 2.00 MJ m-2 d-1. On 29 November, 2005, these values were 9.37 - 1.98 = 7.39 and 28.82 - 23.86 = 4.96 MJ m-2 d-1, respectively. On the annual basis, the 2005 cloudiness caused a reduction of 7279 - 5800 = 1479 MJ m-2 y-1 for the shortwave radiation, while the additional longwave radiation due to cloudiness amounted to 9976 - 9573 = 403 MJ m-2 y-1. The cloudiness in 2005 caused a negative feedback on the climate in this valley.

The neuron net method for processing the clear pixels and method of the analytical formulas for processing the cloudy pixels of POLDER instrument images

NASA Astrophysics Data System (ADS)

Melnikova, I.; Mukai, S.; Vasilyev, A.

Data of remote measurements of reflected radiance with the POLDER instrument on board of ADEOS satellite are used for retrieval of the optical thickness, single scattering albedo and phase function parameter of cloudy and clear atmosphere. The method of perceptron neural network that from input values of multiangle radiance and Solar incident angle allows to obtain surface albedo, the optical thickness, single scattering albedo and phase function parameter in case of clear sky. Two last parameters are determined as optical average for atmospheric column. The calculation of solar radiance with using the MODTRAN-3 code with taking into account multiple scattering is accomplished for neural network learning. All mentioned parameters were randomly varied on the base of statistical models of possible measured parameters variation. Results of processing one frame of remote observation that consists from 150,000 pixels are presented. The methodology elaborated allows operative determining optical characteristics as cloudy as clear atmosphere. Further interpretation of these results gives the possibility to extract the information about total contents of atmospheric aerosols and absorbing gases in the atmosphere and create models of the real cloudiness An analytical method of interpretation that based on asymptotic formulas of multiple scattering theory is applied to remote observations of reflected radiance in case of cloudy pixel. Details of the methodology and error analysis were published and discussed earlier. Here we present results of data processing of pixel size 6x6 km In many studies the optical thickness is evaluated earlier in the assumption of the conservative scattering. But in case of true absorption in clouds the large errors in parameter obtained are possible. The simultaneous retrieval of two parameters at every wavelength independently is the advantage comparing with earlier studies. The analytical methodology is based on the transfer theory asymptotic formula inversion for optically thick stratus clouds. The model of horizontally infinite layer is considered. The slight horizontal heterogeneity is approximately taken into account. Formulas containing only the measured values of two-direction radiance and functions of solar and view angles were derived earlier. The 6 azimuth harmonics of reflection function are taken into account. The simple approximation of the cloud top boarder heterogeneity is used. The clouds, projecting upper the cloud top plane causes the increase of diffuse radiation in the incident flux. It is essential for calculation of radiative characteristics, which depends on lighting conditions. Escape and reflection functions describe this dependence for reflected radiance and local albedo of semi-infinite medium - for irradiance. Thus the functions depending on solar incident angle is to replace by their modifications. Firstly optical thickness of every pixel is obtained with simple formula assuming conservative scattering for all available view directions. Deviations between obtained values may be taken as a measure of the cloud top deviation from the plane. The special parameter is obtained, which takes into account the shadowing effect. Then single scattering albedo and optical thickness (with the true absorption assuming) are obtained for pairs of view directions with equal optical thickness. After that the averaging of values obtained and relative error evaluation is accomplished for all viewing directions of every pixel. The procedure is repeated for all wavelengths and pixels independently.

NIST Photoionization of CO2 (ARPES) Database

National Institute of Standards and Technology Data Gateway

SRD 119 NIST Photoionization of CO2 (ARPES) Database (Web, free access)   CO2 is studied using dispersed synchrotron radiation in the 650 Å to 850 Å spectral region. The vibrationally resolved photoelectron spectra are analyzed to generate relative vibrational transition amplitudes and the angular asymmetry parameters describing the various transitions observed.

Microplasma discharge vacuum ultraviolet photoionization source for atmospheric pressure ionization mass spectrometry.

PubMed

Symonds, Joshua M; Gann, Reuben N; Fernández, Facundo M; Orlando, Thomas M

2014-09-01

In this paper, we demonstrate the first use of an atmospheric pressure microplasma-based vacuum ultraviolet (VUV) photoionization source in atmospheric pressure mass spectrometry applications. The device is a robust, easy-to-operate microhollow cathode discharge (MHCD) that enables generation of VUV photons from Ne and Ne/H(2) gas mixtures. Photons were detected by excitation of a microchannel plate detector and by analysis of diagnostic sample ions using a mass spectrometer. Reactive ions, charged particles, and metastables produced in the discharge were blocked from entering the ionization region by means of a lithium fluoride window, and photoionization was performed in a nitrogen-purged environment. By reducing the output pressure of the MHCD, we observed heightened production of higher-energy photons, making the photoionization source more effective. The initial performance of the MHCD VUV source has been evaluated by ionizing model analytes such as acetone, azulene, benzene, dimethylaniline, and glycine, which were introduced in solid or liquid phase. These molecules represent species with both high and low proton affinities, and ionization energies ranging from 7.12 to 9.7 eV.

Dissociative photoionization of isoprene: experiments and calculations.

PubMed

Liu, Xianyun; Zhang, Weijun; Wang, Zhenya; Huang, Mingqiang; Yang, Xibin; Tao, Ling; Sun, Yue; Xu, Yuntao; Shan, Xiaobin; Liu, Fuyi; Sheng, Liusi

2009-03-01

Vacuum ultraviolet (VUV) dissociative photoionization of isoprene in the energy region 8.5-18 eV was investigated with photoionization mass spectroscopy (PIMS) using synchrotron radiation (SR). The ionization energy (IE) of isoprene as well as the appearance energies (AEs) of its fragment ions C(5)H(7) (+), C(5)H(5) (+), C(4)H(5) (+), C(3)H(6) (+), C(3)H(5) (+), C(3)H(4) (+), C(3)H(3) (+) and C(2)H(3) (+) were determined with photoionization efficiency (PIE) curves. The dissociation energies of some possible dissociation channels to produce those fragment ions were also determined experimentally. The total energies of C(5)H(8) and its main fragments were calculated using the Gaussian 03 program and the Gaussian-2 method. The IE of C(5)H(8), the AEs for its fragment ions, and the dissociation energies to produce them were predicted using the high-accuracy energy model. According to our results, the experimental dissociation energies were in reasonable agreement with the calculated values of the proposed photodissociation channels of C(5)H(8). Copyright (c) 2009 John Wiley & Sons, Ltd.

(Charge separation in photoredox reactions). Informal annual technical progress report, October 1, 1981-October 1, 1982. [N,N,N',N'tetramethylbenzidine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kevan, L.

1982-10-21

During this period work has focused on the structural aspects of photoinduced charge separation in micellar media with initial forays into vesicular media. The primary techniques utilized are electron spin resonance and electron spin echo spectrometry. The analysis of electron spin echo modulation gives a unique handle on very weak hyperfine interactions thus providing a new structural tool for this general problem. Electron spin resonance and electron spin echo studies of the photoionization of N,N,N',N'tetramethylbenzidine (TMB) to give the cation radical have been carried out in anionic, cationic and nonionic micellar solutions frozen to 77/sup 0/K. The photoionization efficiency ofmore » TMB has also been studied in micelles with varying alkyl chain lengths of the surfactant. Stearic acid nitroxide spin probes have also been used to determine some structural aspects of the location of the neutral TMB molecule in anionic micelles before photoionization. The nitroxide work in which the nitroxide is acting as an electron acceptor also shows that a suitable electron acceptor can be located within the micellar structure. The effect of inorganic solutes on the efficiency of the photoionization of TMB in frozen micelles has also been studied. A series of electron scavenger studies have been initiated to study the effect on TMB photoionization efficiency. Electron spin echo detection of laser photogenerated TMB cation in liquid sodium dodecyl sulfate solutions at room temperature has recently been observed.« less

Competitive fragmentation pathways of acetic acid dimer explored by synchrotron VUV photoionization mass spectrometry and electronic structure calculations.

PubMed

Guan, Jiwen; Hu, Yongjun; Zou, Hao; Cao, Lanlan; Liu, Fuyi; Shan, Xiaobin; Sheng, Liusi

2012-09-28

In present study, photoionization and dissociation of acetic acid dimers have been studied with the synchrotron vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. Besides the intense signal corresponding to protonated cluster ions (CH(3)COOH)(n)·H(+), the feature related to the fragment ions (CH(3)COOH)H(+)·COO (105 amu) via β-carbon-carbon bond cleavage is observed. By scanning photoionization efficiency spectra, appearance energies of the fragments (CH(3)COOH)·H(+) and (CH(3)COOH)H(+)·COO are obtained. With the aid of theoretical calculations, seven fragmentation channels of acetic acid dimer cations were discussed, where five cation isomers of acetic acid dimer are involved. While four of them are found to generate the protonated species, only one of them can dissociate into a C-C bond cleavage product (CH(3)COOH)H(+)·COO. After surmounting the methyl hydrogen-transfer barrier 10.84 ± 0.05 eV, the opening of dissociative channel to produce ions (CH(3)COOH)(+) becomes the most competitive path. When photon energy increases to 12.4 eV, we also found dimer cations can be fragmented and generate new cations (CH(3)COOH)·CH(3)CO(+). Kinetics, thermodynamics, and entropy factors for these competitive dissociation pathways are discussed. The present report provides a clear picture of the photoionization and dissociation processes of the acetic acid dimer in the range of the photon energy 9-15 eV.

Dissociative photoionization of ethyl acrylate: Theoretical and experimental insights

NASA Astrophysics Data System (ADS)

Song, Yanlin; Chen, Jun; Ding, Mengmeng; Wei, Bin; Cao, Maoqi; Shan, Xiaobin; Zhao, Yujie; Huang, Chaoqun; Sheng, Liusi; Liu, Fuyi

2015-08-01

The photoionization and dissociation of ethyl acrylate have been investigated by time-of-flight mass spectrometer with tunable vacuum ultraviolet (VUV) source in the range of 9.0-20.0 eV. The photoionization mass spectrum (PIMS) for ethyl acrylate and photoionization efficiency (PIE) curves for its major fragment ions: C5H7O2+, C4H5O2+, C3H5O2+, C3H4O+, C3H3O+, C2H5O+, C2H3O+, C2H5+ and C2H4+ have been obtained. The formation channels of main fragments are predicted by Gaussian 09 program at G3B3 level and examined via their dissociation energies from experimental results. Based on our analysis, nine main dissociative photoionization channels are proposed: C5H7O2+ + H, C4H5O2+ + CH3, C3H5O2+ + C2H3, C3H4O+ + C2H4O, C3H3O+ + C2H5O, C2H5O+ + C3H3O, C2H3O+ + C3H5O, C2H5+ + C3H3O2, C2H4+ + C3H4O2, respectively. The results of this work lead to a better understanding of photochemistry in the environment.

Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

DOE PAGES

Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

2015-10-28

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectronmore » wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. Finally, the results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.« less

Online characterization of isomeric/isobaric components in the gas phase of mainstream cigarette smoke by tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry and photoionization efficiency curve simulation.

PubMed

Pan, Yang; Hu, Yonghua; Wang, Jian; Ye, Lili; Liu, Chengyuan; Zhu, Zhixiang

2013-12-17

A newly developed, qualitative and quantitative method based on tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry (SR-VUV-PI-TOFMS) and photoionization efficiency (PIE) curve simulation was applied for the online analysis of isomers and isobaric compounds in the gas phase of mainstream cigarette smoke. After blocking the particulate phase components by the Cambridge filter pad, a puff of fresh gas-phase cigarette smoke was immediately introduced into a vacuum ionization chamber through a heated capillary, then was photoionized, and analyzed by a TOF mass spectrometer. The PIE curves for the mass peaks up to m/z = 106 were measured between 8.0 and 10.7 eV. Some components could be directly identified by their discriminated ionization energies (IEs) on the PIE curve. By simulating the PIE curve with the sum of scaled absolute photoionization cross sections (PICSs), complex isomeric/isobaric compounds along with their mole fractions could be obtained when the best-fitting was realized between experimental and simulated PIE curves. A series of reported toxic compounds for quantification, such as 1,3-butadiene (m/z = 54), 1,3-cyclopentadiene (m/z = 66), benzene (m/z = 78), xylene (m/z = 106), 2-propenal (m/z = 56), acetone and propanal (m/z = 58), crotonaldehyde (m/z = 70), furan and isoprene (m/z = 68), were all found to have other isomers and/or isobaric compounds with considerable abundances. Some isomers have never been reported previously in cigarette smoke, like C5H6 isomers 1-penten-3-yne, 3-penten-1-yne, and 1-penten-4-yne at m/z = 66. Isomeric/isobaric compounds characterization for the mass peaks and mole fraction calculations were discussed in detail below 10.7 eV, an energy value covering several conventional used VUV light sources.

Computation of Solar Radiative Fluxes by 1D and 3D Methods Using Cloudy Atmospheres Inferred from A-train Satellite Data

NASA Technical Reports Server (NTRS)

Barker, Howard W.; Kato, Serji; Wehr, T.

2012-01-01

The main point of this study was to use realistic representations of cloudy atmospheres to assess errors in solar flux estimates associated with 1D radiative transfer models. A scene construction algorithm, developed for the EarthCARE satellite mission, was applied to CloudSat, CALIPSO, and MODIS satellite data thus producing 3D cloudy atmospheres measuring 60 km wide by 13,000 km long at 1 km grid-spacing. Broadband solar fluxes and radiances for each (1 km)2 column where then produced by a Monte Carlo photon transfer model run in both full 3D and independent column approximation mode (i.e., a 1D model).

Comparison of solar system measured data for various sample rates. [conducted using Marshall Space Flight Center Solar House

NASA Technical Reports Server (NTRS)

Chiou, J., Sr.

1977-01-01

The results of solar house data for sample rates of 50, 100, 250, 300, and 600 seconds were compared. The data considered for summer days were the heat incident on the collectors, the heat used by the air conditioner generator, and the heat used by the auxiliary heater. For winter days, the heat incident, the heat collected and the heat used by the heat exchanger were computed. These data were compared for different weather days such as clear days, partly cloudy days, cloudy days, and very cloudy days. Also, data for the integration of all these weather days were compared. The precentage differences for these data, using 50 second sample rate as a base, are also presented.

Identification of combustion intermediates in low-pressure premixed pyridine/oxygen/argon flames.

PubMed

Tian, Zhenyu; Li, Yuyang; Zhang, Taichang; Zhu, Aiguo; Qi, Fei

2008-12-25

Combustion intermediates of two low-pressure premixed pyridine/oxygen flames with respective equivalence ratios of 0.56 (C/O/N = 1:4.83:0.20) and 2.10 (C/O/N = 1:1.29:0.20) have been identified with tunable synchrotron vacuum ultraviolet (VUV) photoionization and molecular-beam mass spectrometry techniques. About 80 intermediates in the rich flame and 60 intermediates in the lean flame, including nitrogenous, oxygenated, and hydrocarbon intermediates, have been identified by measurements of photoionization mass spectra and photoionization efficiency spectra. Some radicals and new nitrogenous intermediates are identified in the present work. The experimental results are useful for studying the conversion of volatile nitrogen compounds and understanding the formation mechanism of NO(x) in flames of nitrogenous fuels.

Investigating the Fundamentals of Molecular Depth Profiling Using Strong-field Photoionization of Sputtered Neutrals

PubMed Central

Willingham, D.; Brenes, D. A.; Winograd, N.; Wucher, A.

2010-01-01

Molecular depth profiles of model organic thin films were performed using a 40 keV C60+ cluster ion source in concert with TOF-SIMS. Strong-field photoionization of intact neutral molecules sputtered by 40 keV C60+ primary ions was used to analyze changes in the chemical environment of the guanine thin films as a function of ion fluence. Direct comparison of the secondary ion and neutral components of the molecular depth profiles yields valuable information about chemical damage accumulation as well as changes in the molecular ionization probability. An analytical protocol based on the erosion dynamics model is developed and evaluated using guanine and trehalose molecular secondary ion signals with and without comparable laser photoionization data. PMID:26269660

A photoionization model for the optical line emission from cooling flows

NASA Technical Reports Server (NTRS)

Donahue, Megan; Voit, G. M.

1991-01-01

The detailed predictions of a photoionization model previously outlined in Voit and Donahue (1990) to explain the optical line emission associated with cooling flows in X-ray emitting clusters of galaxies are presented. In this model, EUV/soft X-ray radiation from condensing gas photoionizes clouds that have already cooled. The energetics and specific consequences of such a model, as compared to other models put forth in the literature is discussed. Also discussed are the consequences of magnetic fields and cloud-cloud shielding. The results illustrate how varying the individual column densities of the ionized clouds can reproduce the range of line ratios observed and strongly suggest that the emission-line nebulae are self-irradiated condensing regions at the centers of cooling flows.

Environmental controls on the increasing GPP of terrestrial vegetation across northern Eurasia

NASA Astrophysics Data System (ADS)

Dass, P.; Rawlins, M. A.; Kimball, J. S.; Kim, Y.

2016-01-01

Terrestrial ecosystems of northern Eurasia are demonstrating an increasing gross primary productivity (GPP), yet few studies have provided definitive attribution for the changes. While prior studies point to increasing temperatures as the principle environmental control, influences from moisture and other factors are less clear. We assess how changes in temperature, precipitation, cloudiness, and forest fires individually contribute to changes in GPP derived from satellite data across northern Eurasia using a light-use- efficiency-based model, for the period 1982-2010. We find that annual satellite-derived GPP is most sensitive to the temperature, precipitation and cloudiness of summer, which is the peak of the growing season and also the period of the year when the GPP trend is maximum. Considering the regional median, the summer temperature explains as much as 37.7 % of the variation in annual GPP, while precipitation and cloudiness explain 20.7 and 19.3 %. Warming over the period analysed, even without a sustained increase in precipitation, led to a significant positive impact on GPP for 61.7 % of the region. However, a significant negative impact on GPP was also found, for 2.4 % of the region, primarily the dryer grasslands in the south-west of the study area. For this region, precipitation positively correlates with GPP, as does cloudiness. This shows that the south-western part of northern Eurasia is relatively more vulnerable to drought than other areas. While our results further advance the notion that air temperature is the dominant environmental control for recent GPP increases across northern Eurasia, the role of precipitation and cloudiness can not be ignored.

Revealing the sub-nanometere three-dimensional microscture of a metallic meteorite

NASA Astrophysics Data System (ADS)

Einsle, J. F.; Harrison, R.; Blukis, R.; Eggeman, A.; Saghi, Z.; Martineau, B.; Bagot, P.; Collins, S. M.; Midgley, P. A.

2017-12-01

Coming from from the core of differentiated planetesimals, iron-nickel meteorites provide some of the only direct material artefacts from planetary cores. Iron - nickel meteorites contain a record of their thermal and magnetic history, written in the intergrowth of iron-rich and nickel-rich phases that formed during slow cooling over millions of years. Of intense interest for understanding the thermal and magnetic history is the `'cloudy zone''. This nanoscale intergrowth that has recently been used to provide a record of magnetic activity on the parent body of stony-iron meteorites. The cloudy zone consists of islands of tetrataenite surrounded by a matrix phase, Here we use a multi-scale and multidimensional comparative study using high-resolution electron diffraction, scanning transmission electron tomography with chemical mapping, atom probe tomography and micromagnetic simulations to reveal the three-dimensional architecture of the cloudy zone with sub-nanometre spatial resolution. Machine learning data deconvolution strategies enable the three microanalytical techniques to converge on a consistent microstructural description for the cloudy zone. Isolated islands of tetrataenite are found, embedded in a continuous matrix of an FCC-supercell of Fe27Ni5 structure, never before identified in nature. The tetrataenite islands are arranged in clusters of three crystallographic variants, which control how magnetic information is encoded into the nanostructure during slow cooling. The new compositional, crystallographic and micromagnetic data have profound implications for how the cloudy zone acquires magnetic remanence, and requires a revision of the low-temperature metastable phase diagram of the Fe-Ni system. This can lead to a refinement of core dynamics in small planetoids.

Cloudy and starry milia-like cysts: how well do they distinguish seborrheic keratoses from malignant melanomas?

PubMed

Stricklin, S M; Stoecker, W V; Oliviero, M C; Rabinovitz, H S; Mahajan, S K

2011-10-01

Seborrheic keratoses are the most common skin lesions known to contain small white or yellow structures called milia-like cysts (MLCs). Varied appearances can sometimes make it difficult to differentiate benign lesions from malignant lesions such as melanoma, the deadliest form of skin cancer found in humans. The purpose of this study was to determine the statistical occurrence of MLCs in benign vs. malignant lesions. A medical student with 10 months experience in examining approximately 1000 dermoscopy images and a dermoscopy-naïve observer analysed contact non-polarized dermoscopy images of 221 malignant melanomas and 175 seborrheic keratoses for presence of MLCs. The observers found two different types of MLCs present: large ones described as cloudy and smaller ones described as starry. Starry MLCs were found to be prevalent in both seborrheic keratoses and melanomas. Cloudy MLCs, however, were found to have 99.1% specificity for seborrheic keratoses among this group of seborrheic keratoses and melanomas. Cloudy MLCs can be a useful tool for differentiating between seborrheic keratoses and melanomas. © 2010 The Authors. Journal of the European Academy of Dermatology and Venereology © 2010 European Academy of Dermatology and Venereology.

Cloudy and starry milia-like cysts: how well do they distinguish seborrheic keratoses from malignant melanomas?

PubMed Central

Stricklin, S.M.; Stoecker, W.V.; Oliviero, M.C.; Rabinovitz, H.S.; Mahajan, S.K.

2011-01-01

Background Seborrheic keratoses are the most common skin lesions known to contain small white or yellow structures called milia-like cysts (MLCs). Varied appearances can sometimes make it difficult to differentiate benign lesions from malignant lesions such as melanoma, the deadliest form of skin cancer found in humans. Objective The purpose of this study was to determine the statistical occurrence of MLCs in benign vs. malignant lesions. Methods A medical student with 10 months experience in examining approximately 1000 dermoscopy images and a dermoscopy-naïve observer analysed contact non-polarized dermoscopy images of 221 malignant melanomas and 175 seborrheic keratoses for presence of MLCs. Results The observers found two different types of MLCs present: large ones described as cloudy and smaller ones described as starry. Starry MLCs were found to be prevalent in both seborrheic keratoses and melanomas. Cloudy MLCs, however, were found to have 99.1% specificity for seborrheic keratoses among this group of seborrheic keratoses and melanomas. Conclusion Cloudy MLCs can be a useful tool for differentiating between seborrheic keratoses and melanomas. Received: 18 June 2010; Accepted: 27 October 2010 PMID:21923811

A Quality Control study of the distribution of NOAA MIRS Cloudy retrievals during Hurricane Sandy

NASA Astrophysics Data System (ADS)

Fletcher, S. J.

2013-12-01

Cloudy radiance present a difficult challenge to data assimilation (DA) systems, through both the radiative transfer system as well the hydrometers required to resolve the cloud and precipitation. In most DA systems the hydrometers are not control variables due to many limitations. The National Oceanic and Atmospheric Administration's (NOAA) Microwave Integrated Retrieval System (MIRS) is producing products from the NPP-ATMS satellite where the scene is cloud and precipitation affected. The test case that we present here is the life time of Hurricane and then Superstorm Sandy in October 2012. As a quality control study we shall compare the retrieved water vapor content during the lifetime of Sandy with the first guess and the analysis from the NOAA Gridpoint Statistical Interpolation (GSI) system. The assessment involves the gross error check system against the first guess with different values for the observational error's variance to see if the difference is within three standard deviations. We shall also compare against the final analysis at the relevant cycles to see if the products which have been retrieved through a cloudy radiance are similar, given that the DA system does not assimilate cloudy radiances yet.

Aerosol effect on the evolution of the thermodynamic properties of warm convective cloud fields

PubMed Central

Dagan, Guy; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H.

2016-01-01

Convective cloud formation and evolution strongly depend on environmental temperature and humidity profiles. The forming clouds change the profiles that created them by redistributing heat and moisture. Here we show that the evolution of the field’s thermodynamic properties depends heavily on the concentration of aerosol, liquid or solid particles suspended in the atmosphere. Under polluted conditions, rain formation is suppressed and the non-precipitating clouds act to warm the lower part of the cloudy layer (where there is net condensation) and cool and moisten the upper part of the cloudy layer (where there is net evaporation), thereby destabilizing the layer. Under clean conditions, precipitation causes net warming of the cloudy layer and net cooling of the sub-cloud layer (driven by rain evaporation), which together act to stabilize the atmosphere with time. Previous studies have examined different aspects of the effects of clouds on their environment. Here, we offer a complete analysis of the cloudy atmosphere, spanning the aerosol effect from instability-consumption to enhancement, below, inside and above warm clouds, showing the temporal evolution of the effects. We propose a direct measure for the magnitude and sign of the aerosol effect on thermodynamic instability. PMID:27929097

Aerosol effect on the evolution of the thermodynamic properties of warm convective cloud fields.

PubMed

Dagan, Guy; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H

2016-12-08

Convective cloud formation and evolution strongly depend on environmental temperature and humidity profiles. The forming clouds change the profiles that created them by redistributing heat and moisture. Here we show that the evolution of the field's thermodynamic properties depends heavily on the concentration of aerosol, liquid or solid particles suspended in the atmosphere. Under polluted conditions, rain formation is suppressed and the non-precipitating clouds act to warm the lower part of the cloudy layer (where there is net condensation) and cool and moisten the upper part of the cloudy layer (where there is net evaporation), thereby destabilizing the layer. Under clean conditions, precipitation causes net warming of the cloudy layer and net cooling of the sub-cloud layer (driven by rain evaporation), which together act to stabilize the atmosphere with time. Previous studies have examined different aspects of the effects of clouds on their environment. Here, we offer a complete analysis of the cloudy atmosphere, spanning the aerosol effect from instability-consumption to enhancement, below, inside and above warm clouds, showing the temporal evolution of the effects. We propose a direct measure for the magnitude and sign of the aerosol effect on thermodynamic instability.

A Neural Network Based Intelligent Predictive Sensor for Cloudiness, Solar Radiation and Air Temperature

PubMed Central

Ferreira, Pedro M.; Gomes, João M.; Martins, Igor A. C.; Ruano, António E.

2012-01-01

Accurate measurements of global solar radiation and atmospheric temperature, as well as the availability of the predictions of their evolution over time, are important for different areas of applications, such as agriculture, renewable energy and energy management, or thermal comfort in buildings. For this reason, an intelligent, light-weight and portable sensor was developed, using artificial neural network models as the time-series predictor mechanisms. These have been identified with the aid of a procedure based on the multi-objective genetic algorithm. As cloudiness is the most significant factor affecting the solar radiation reaching a particular location on the Earth surface, it has great impact on the performance of predictive solar radiation models for that location. This work also represents one step towards the improvement of such models by using ground-to-sky hemispherical colour digital images as a means to estimate cloudiness by the fraction of visible sky corresponding to clouds and to clear sky. The implementation of predictive models in the prototype has been validated and the system is able to function reliably, providing measurements and four-hour forecasts of cloudiness, solar radiation and air temperature. PMID:23202230

Physical Properties of the Very Young PN Hen3-1357 (Stingray Nebula) Based on Multiwavelength Observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Otsuka, Masaaki; Parthasarathy, M.; Tajitsu, A.

We carried out a detailed analysis of the interesting and important very young planetary nebula (PN) Hen3-1357 (Stingray Nebula) based on a unique data set of optical to far-IR spectra and photometric images. We calculated the abundances of nine elements using collisionally excited lines (CELs) and recombination lines (RLs). The RL C/O ratio indicates that this PN is O-rich, which is also supported by the detection of the broad 9/18 μ m bands from amorphous silicate grains. The observed elemental abundances can be explained by asymptotic giant branch (AGB) nucleosynthesis models for initially 1–1.5 M {sub ⊙} stars with Zmore » = 0.008. The Ne overabundance might be due to the enhancement of {sup 22}Ne isotope in the He-rich intershell. Using the spectrum of the central star synthesized by Tlusty as the ionization/heating source of the PN, we constructed the self-consistent photoionization model with Cloudy to the observed quantities and derived the gas and dust masses, dust-to-gas mass ratio, and core mass of the central star. About 80% of the total dust mass is from warm–cold dust component beyond ionization front. Comparison with other Galactic PNe indicates that Hen3-1357 is an ordinary amorphous silicate-rich and O-rich gas PN. Among other studied PNe, IC4846 shows many similarities in properties of the PN to Hen3-1357, although their post-AGB evolution is quite different from each other. Further monitoring of observations and comparisons with other PNe such as IC4846 are necessary to understand the evolution of Hen3-1357.« less

Evidence for active galactic nucleus feedback in the broad absorption lines and reddening of MRK 231 {sup ,}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leighly, Karen M.; Baron, Eddie; Lucy, Adrian B.

2014-06-20

We present the first J-band spectrum of Mrk 231, which reveals a large He I* λ10830 broad absorption line with a profile similar to that of the well-known Na I broad absorption line. Combining this spectrum with optical and UV spectra from the literature, we show that the unusual reddening noted by Veilleux et al. is explained by a reddening curve like those previously used to explain low values of total-to-selective extinction in Type Ia supernovae. The nuclear starburst may be the origin and location of the dust. Spatially resolved emission in the broad absorption line trough suggests nearly fullmore » coverage of the continuum emission region. The broad absorption lines reveal higher velocities in the He I* lines (produced in the quasar-photoionized H II region) compared with the Na I and Ca II lines (produced in the corresponding partially ionized zone). Cloudy simulations show that a density increase is required between the H II and partially ionized zones to produce ionic column densities consistent with the optical and IR absorption line measurements and limits, and that the absorber lies ∼100 pc from the central engine. These results suggest that the He I* lines are produced in an ordinary quasar BAL wind that impacts upon, compresses, and accelerates the nuclear starburst's dusty effluent (feedback in action), and the Ca II and Na I lines are produced in this dusty accelerated gas. This unusual circumstance explains the rarity of Na I absorption lines; without the compression along our line of sight, Mrk 231 would appear as an ordinary iron low-ionization, broad absorption line quasar.« less

Ultraviolet resources over Northern Eurasia.

PubMed

Chubarova, Natalia; Zhdanova, Yekaterina

2013-10-05

We propose a new climatology of UV resources over Northern Eurasia, which includes the assessments of both detrimental (erythema) and positive (vitamin D synthesis) effects of ultraviolet radiation on human health. The UV resources are defined by using several classes and subclasses - UV deficiency, UV optimum, and UV excess - for 6 different skin types. To better quantifying the vitamin D irradiance threshold we accounted for an open body fraction S as a function of effective air temperature. The spatial and temporal distribution of UV resources was estimated by radiative transfer (RT) modeling (8 stream DISORT RT code) with 1×1° grid and monthly resolution. For this purpose special datasets of main input geophysical parameters (total ozone content, aerosol characteristics, surface UV albedo, UV cloud modification factor) have been created over the territory of Northern Eurasia. The new approaches were used to retrieve aerosol parameters and cloud modification factor in the UV spectral region. As a result, the UV resources were obtained for clear-sky and mean cloudy conditions for different skin types. We show that the distribution of UV deficiency, UV optimum and UV excess is regulated by various geophysical parameters (mainly, total ozone, cloudiness and open body fraction) and can significantly deviate from latitudinal dependence. We also show that the UV optimum conditions can be simultaneously observed for people with different skin types (for example, for 4-5 skin types at the same time in spring over Western Europe). These UV optimum conditions for different skin types occupy a much larger territory over Europe than that over Asia. Copyright © 2013 Elsevier B.V. All rights reserved.

Using Intel Xeon Phi to accelerate the WRF TEMF planetary boundary layer scheme

NASA Astrophysics Data System (ADS)

Mielikainen, Jarno; Huang, Bormin; Huang, Allen

2014-05-01

The Weather Research and Forecasting (WRF) model is designed for numerical weather prediction and atmospheric research. The WRF software infrastructure consists of several components such as dynamic solvers and physics schemes. Numerical models are used to resolve the large-scale flow. However, subgrid-scale parameterizations are for an estimation of small-scale properties (e.g., boundary layer turbulence and convection, clouds, radiation). Those have a significant influence on the resolved scale due to the complex nonlinear nature of the atmosphere. For the cloudy planetary boundary layer (PBL), it is fundamental to parameterize vertical turbulent fluxes and subgrid-scale condensation in a realistic manner. A parameterization based on the Total Energy - Mass Flux (TEMF) that unifies turbulence and moist convection components produces a better result that the other PBL schemes. For that reason, the TEMF scheme is chosen as the PBL scheme we optimized for Intel Many Integrated Core (MIC), which ushers in a new era of supercomputing speed, performance, and compatibility. It allows the developers to run code at trillions of calculations per second using the familiar programming model. In this paper, we present our optimization results for TEMF planetary boundary layer scheme. The optimizations that were performed were quite generic in nature. Those optimizations included vectorization of the code to utilize vector units inside each CPU. Furthermore, memory access was improved by scalarizing some of the intermediate arrays. The results show that the optimization improved MIC performance by 14.8x. Furthermore, the optimizations increased CPU performance by 2.6x compared to the original multi-threaded code on quad core Intel Xeon E5-2603 running at 1.8 GHz. Compared to the optimized code running on a single CPU socket the optimized MIC code is 6.2x faster.

The Distant Double Bond Determines the Fate of the Carboxylic Group in the Dissociative Photoionization of Oleic Acid.

PubMed

Heringa, Maarten F; Slowik, Jay G; Goldmann, Maximilian; Signorell, Ruth; Hemberger, Patrick; Bodi, Andras

2017-12-15

The valence threshold photoionization of oleic acid has been studied using synchrotron VUV radiation and imaging photoelectron photoion coincidence (iPEPICO) spectroscopy. An oleic acid aerosol beam was impacted on a copper thermodesorber, heated to 130 °C, to evaporate the particles quantitatively. Upon threshold photoionization, oleic acid produces the intact parent ion first, followed by dehydration at higher energies. Starting at ca. 10 eV, a large number of fragment ions slowly rise suggesting several fragmentation coordinates with quasi-degenerate activation energies. However, water loss is the dominant low-energy dissociation channel, and it is shown to be closely related to the unsaturated carbon chain. In the lowest-barrier process, one of the four allylic hydrogen atoms is transferred to the carboxyl group to form the leaving water molecule and a cyclic ketone fragment ion. A statistical model to analyze the breakdown diagram and measured rate constants yields a 0 K appearance energy of 9.77 eV, which can be compared with the density functional theory result of 9.19 eV. Alternative H-transfer steps yielding a terminal C=O group are ruled out based on energetics and kinetics arguments. Some of the previous photoionization mass spectrometric studies also reported 2 amu and 26 amu loss fragment ions, corresponding to hydrogen and acetylene loss. We could not identify such peaks in the mass spectrum of oleic acid. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

APPI-MS: Effects of mobile phases and VUV lamps on the detection of PAH compounds

PubMed Central

Short, Luke Chandler; Cai, Sheng-Suan; Syage, Jack A.

2009-01-01

The technique of atmospheric pressure photoionization (APPI) has several advantages over electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI), including efficient ionization of non-polar or low charge affinity compounds, reduced susceptibility to ion suppression, high sensitivity, and large linear dynamic range. These benefits are greatest at low flow rates (i.e., ≤100 μL/min), while at a higher flow, photon absorption and ion-molecule reactions become significant. Under certain circumstances, APPI signal and S/N have been observed to excel at higher flow, which may be due to a non-photoionzation mechanism. To better understand APPI at higher flow rates, we have selected three lamps (Xe, Kr and Ar) and four mobile phases typical for reverse-phase, high-pressure liquid chromatography: acetonitrile, methanol, (1:1) acetonitrile:water and (1:1) methanol:water. As test compounds, three polyaromatic hydrocarbons are studied: benzo[a]pyrene, indeno[1,2,3-c,d]pyrene and benz[a]anthracene. We find that solvent photoabsorption cross-section is not the only parameter in explaining relative signal intensity, but that solvent photo-ion chemistry can also play a significant role. Three conclusions from this investigation are: (i) Methanol photoionization leads to protonated methanol clusters that can result in chemical ionization of analyte molecule; (ii) Use of the Ar lamp often results in greater signal and S/N; (iii) Acetonitrile photoionization is less efficient and resulting clusters are too strongly bound to efficiently chemically ionize the analyte, so that analyte ion formation is dominated by direct photoionization. PMID:17188507

Watching proton transfer in real time: Ultrafast photoionization-induced proton transfer in phenol-ammonia complex cation.

PubMed

Shen, Ching-Chi; Tsai, Tsung-Ting; Wu, Jun-Yi; Ho, Jr-Wei; Chen, Yi-Wei; Cheng, Po-Yuan

2017-10-28

In this paper, we give a full account of our previous work [C. C. Shen et al., J. Chem. Phys. 141, 171103 (2014)] on the study of an ultrafast photoionization-induced proton transfer (PT) reaction in the phenol-ammonia (PhOH-NH 3 ) complex using ultrafast time-resolved ion photofragmentation spectroscopy implemented by the photoionization-photofragmentation pump-probe detection scheme. Neutral PhOH-NH 3 complexes prepared in a free jet are photoionized by femtosecond 1 + 1 resonance-enhanced multiphoton ionization via the S 1 state. The evolving cations are then probed by delayed pulses that result in ion fragmentation, and the ionic dynamics is followed by measuring the parent-ion depletion as a function of the pump-probe delay time. By comparing with systems in which PT is not feasible and the steady-state ion photofragmentation spectra, we concluded that the observed temporal evolutions of the transient ion photofragmentation spectra are consistent with an intracomplex PT reaction after photoionization from the initial non-PT to the final PT structures. Our experiments revealed that PT in [PhOH-NH 3 ] + cation proceeds in two distinct steps: an initial impulsive wave-packet motion in ∼70 fs followed by a slower relaxation of about 1 ps that stabilizes the system into the final PT configuration. These results indicate that for a barrierless PT system, even though the initial PT motions are impulsive and ultrafast, the time scale to complete the reaction can be much slower and is determined by the rate of energy dissipation into other modes.

APPI-MS: effects of mobile phases and VUV lamps on the detection of PAH compounds.

PubMed

Short, Luke Chandler; Cai, Sheng-Suan; Syage, Jack A

2007-04-01

The technique of atmospheric pressure photoionization (APPI) has several advantages over electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI), including efficient ionization of nonpolar or low charge affinity compounds, reduced susceptibility to ion suppression, high sensitivity, and large linear dynamic range. These benefits are greatest at low flow rates (i.e.,

Watching proton transfer in real time: Ultrafast photoionization-induced proton transfer in phenol-ammonia complex cation

NASA Astrophysics Data System (ADS)

Shen, Ching-Chi; Tsai, Tsung-Ting; Wu, Jun-Yi; Ho-Wei, Jr.; Chen, Yi-Wei; Cheng, Po-Yuan

2017-10-01

In this paper, we give a full account of our previous work [C. C. Shen et al., J. Chem. Phys. 141, 171103 (2014)] on the study of an ultrafast photoionization-induced proton transfer (PT) reaction in the phenol-ammonia (PhOH-NH3) complex using ultrafast time-resolved ion photofragmentation spectroscopy implemented by the photoionization-photofragmentation pump-probe detection scheme. Neutral PhOH-NH3 complexes prepared in a free jet are photoionized by femtosecond 1 + 1 resonance-enhanced multiphoton ionization via the S1 state. The evolving cations are then probed by delayed pulses that result in ion fragmentation, and the ionic dynamics is followed by measuring the parent-ion depletion as a function of the pump-probe delay time. By comparing with systems in which PT is not feasible and the steady-state ion photofragmentation spectra, we concluded that the observed temporal evolutions of the transient ion photofragmentation spectra are consistent with an intracomplex PT reaction after photoionization from the initial non-PT to the final PT structures. Our experiments revealed that PT in [PhOH-NH3]+ cation proceeds in two distinct steps: an initial impulsive wave-packet motion in ˜70 fs followed by a slower relaxation of about 1 ps that stabilizes the system into the final PT configuration. These results indicate that for a barrierless PT system, even though the initial PT motions are impulsive and ultrafast, the time scale to complete the reaction can be much slower and is determined by the rate of energy dissipation into other modes.

Carbon monoxide column retrieval for clear-sky and cloudy atmospheres: a full-mission data set from SCIAMACHY 2.3 µm reflectance measurements

NASA Astrophysics Data System (ADS)

Borsdorff, Tobias; aan de Brugh, Joost; Hu, Haili; Nédélec, Philippe; Aben, Ilse; Landgraf, Jochen

2017-05-01

We discuss the retrieval of carbon monoxide (CO) vertical column densities from clear-sky and cloud contaminated 2311-2338 nm reflectance spectra measured by the Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY) from January 2003 until the end of the mission in April 2012. These data were processed with the Shortwave Infrared CO Retrieval algorithm (SICOR) that we developed for the operational data processing of the Tropospheric Monitoring Instrument (TROPOMI) that will be launched on ESA's Sentinel-5 Precursor (S5P) mission. This study complements previous work that was limited to clear-sky observations over land. Over the oceans, CO is estimated from cloudy-sky measurements only, which is an important addition to the SCIAMACHY clear-sky CO data set as shown by NDACC and TCCON measurements at coastal sites. For Ny-Ålesund, Lauder, Mauna Loa and Reunion, a validation of SCIAMACHY clear-sky retrievals is not meaningful because of the high retrieval noise and the few collocations at these sites. The situation improves significantly when considering cloudy-sky observations, where we find a low mean bias b = ±6. 0 ppb and a strong correlation between the validation and the SCIAMACHY results with a mean Pearson correlation coefficient r = 0. 7. Also for land observations, cloudy-sky CO retrievals present an interesting complement to the clear-sky data set. For example, at the cities Tehran and Beijing the agreement of SCIAMACHY clear-sky CO observations with MOZAIC/IAGOS airborne measurements is poor with a mean bias of b = 171. 2 ppb and 57.9 ppb because of local CO pollution, which cannot be captured by SCIAMACHY. For cloudy-sky retrievals, the validation improves significantly. Here the retrieved column is mainly sensitive to CO above the cloud and so not affected by the strong local surface emissions. Adjusting the MOZAIC/IAGOS measurements to the vertical sensitivity of the retrieval, the mean bias adds up to b = 52. 3 ppb and 5.0 ppb for Tehran and Beijing. At the less urbanised region around the airport Windhoek, local CO pollution is less prominent and so MOZAIC/IAGOS measurements agree well with SCIAMACHY clear-sky retrievals with a mean bias of b = 15. 5 ppb, but can be even further improved for cloudy SCIAMACHY observations with a mean bias of b = 0. 2 ppb. Overall the cloudy-sky CO retrievals from SCIAMACHY short-wave infrared measurements present a major extension of the clear-sky-only data set, which more than triples the amount of data and adds unique observations over the oceans. Moreover, the study represents the first application of the S5P algorithm for operational CO data processing on cloudy observations prior to the launch of the S5P mission.

Photoionization of the valence shells of the neutral tungsten atom

NASA Astrophysics Data System (ADS)

Ballance, C. P.; McLaughlin, B. M.

2015-04-01

Results from large-scale theoretical cross section calculations for the total photoionization (PI) of the 4f, 5s, 5p and 6s orbitals of the neutral tungsten atom using the Dirac Coulomb R-matrix approximation (DARC: Dirac-atomic R-matrix codes) are presented. Comparisons are made with previous theoretical methods and prior experimental measurements. In previous experiments a time-resolved dual laser approach was employed for the photo-absorption of metal vapours and photo-absorption measurements on tungsten in a solid, using synchrotron radiation. The lowest ground state level of neutral tungsten is 5{{p}6}5{{d}4}6{{s}2}{{ }5}{{D}J}, with J = 0, and requires only a single dipole matrix for PI. To make a meaningful comparison with existing experimental measurements, we statistically average the large-scale theoretical PI cross sections from the levels associated with the ground state 5{{p}6}5{{d}4}6{{s}2}{{ }5}{{D}J} (J = 0, 1, 2, 3, 4) levels and the 5{{d}5}6{{s} 7}{{S}3} excited metastable level. As the experiments have a self-evident metastable component in their ground state measurement, averaging over the initial levels allows for a more consistent and realistic comparison to be made. In the wider context, the absence of many detailed electron-impact excitation (EIE) experiments for tungsten and its multi-charged ion stages allows current PI measurements and theory to provide a road-map for future EIE, ionization and di-electronic cross section calculations by identifying the dominant resonance structure and features across an energy range of hundreds of eV.

Time-Dependent Photoionization of Gaseous Nebulae: The Pure Hydrogen Case

NASA Technical Reports Server (NTRS)

Garcia, J.; Elhoussieny, E. E.; Bautista, M. A.; Kallman, Timothy R.

2013-01-01

We study the problem of time-dependent photoionization of low density gaseous nebulae subjected to sudden changes in the intensity of ionizing radiation. To this end, we write a computer code that solves the full timedependent energy balance, ionization balance, and radiation transfer equations in a self-consistent fashion for a simplified pure hydrogen case. It is shown that changes in the ionizing radiation yield ionizationthermal fronts that propagate through the cloud, but the propagation times and response times to such fronts vary widely and nonlinearly from the illuminated face of the cloud to the ionization front (IF). IFthermal fronts are often supersonic, and in slabs initially in pressure equilibrium such fronts yield large pressure imbalances that are likely to produce important dynamical effects in the cloud. Further, we studied the case of periodic variations in the ionizing flux. It is found that the physical conditions of the plasma have complex behaviors that differ from any steady-state solution. Moreover, even the time average of ionization and temperature is different from any steady-state case. This time average is characterized by overionization and a broader IF with respect to the steady-state solution for a mean value of the radiation flux. Around the time average of physical conditions there is a large dispersion in instantaneous conditions, particularly across the IF, which increases with the period of radiation flux variations. Moreover, the variations in physical conditions are asynchronous along the slab due to the combination of nonlinear propagation times for thermal frontsIFs and equilibration times.

Measurement of the photoionization cross section from the laser-populated 3D metastable levels in barium

NASA Technical Reports Server (NTRS)

Carlsten, J. L.; Mcilrath, T. J.; Parkinson, W. H.

1974-01-01

Measurements of the absolute photoionization cross section from the 6s5d 3D metastable level of barium are presented. The 3D levels were selectively populated with a high-power tuneable dye laser. The number density was determined by observing the resulting depopulation of the ground state when pumping occurred.

''Reading'' the photoelectron {beta}-parameter spectrum in a resonance region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dolmatov, V. K.; Guler, E.; Manson, S. T.

2007-09-15

The behavior of the dipole photoelectron angular distribution parameter {beta}{sub nl}({omega}) in the vicinity of autoionizing resonances is discussed. It is shown that from this behavior, surprisingly, many photoionization parameters that cannot be measured experimentally can be extracted. These are the energy positions and ordering of autoionizing resonance minima in the partial photoionization cross sections {sigma}{sub l+1} and {sigma}{sub l-1}, the energies at which these two cross sections intersect, and signs and magnitudes of the cos({delta}{sub l+1}-{delta}{sub l-1}) ({delta}{sub l{+-}}{sub 1} being the phase shifts of the dipole photoionization amplitudes D{sub l{+-}}{sub 1}, respectively) through the autoionizing resonance energy region.more » Based on this, a deeper interpretation of such effects as the width-narrowing, width-fluctuating, and q-reversal in the {beta}{sub nl} parameter spectrum in the autoionizing resonance energy region is given. As an example, calculated data for partial photoionization cross sections {sigma}{sub 3d{r_reversible}}{sub f} and {sigma}{sub 3d{r_reversible}}{sub p}, and {beta}{sub 3d} parameters for 3d photoelectrons from Cr{sup +} are presented.« less

Optical absorption, electron spin resonance, and electron spin echo studies of the photoionization of tetramethylbenzidine in cationic and anionic synthetic vesicles: comparison with analogous micellar systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, A.S.W.; Kevan, L.

1983-09-07

The photoionization of N,N,N',N'-tetramethylbenzidine (TMB) in dihexadecylphosphate anionic vesicles and in dioctadecyldimethylammonium chloride cationic vesicles has been studied by optical absorption and electron spin resonance in liquid and frozen solutions. The TMB cation has been observed to be stabilized in both types of vesicles. The photoionization efficiency is about twofold greater in the cationic vesicles compared to the anionic vesicles. Shifts in the optical absorption maximum between micellar and vesicle solutions indicate that TMB is in a less polar environment in the vesicle systems. Electron spin echo modulation spectrometry has been used to detect TMB cation-water interactions that are foundmore » to be weaker than in previously studied micellar solutions. This is consistent with the optical absorption results and with an asymmetric solubilization site for TMB and TMB/sup +/ within the vesicular structure. A new absorption in the photoionized vesicles is assigned to a nonparamagnetic diamine-diimine charge-transfer complex between two TMB cations in the same vesicle. This complex is not formed in micellar systems. 5 figures.« less

Spectral lines and characteristic of temporal variations in photoionized plasmas induced with laser-produced plasma extreme ultraviolet source

NASA Astrophysics Data System (ADS)

Saber, I.; Bartnik, A.; Wachulak, P.; Skrzeczanowski, W.; Jarocki, R.; Fiedorowicz, H.

2017-11-01

Spectral lines for Kr/Ne/H2 photoionized plasma in the ultraviolet and visible (UV/Vis) wavelength ranges have been created using a laser-produced plasma (LPP) EUV source. The source is based on a double-stream gas puff target irradiated with a commercial Nd:YAG laser. The laser pulses were focused onto a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Spectral lines from photoionization in neutral Kr/Ne/H2 and up to few charged states were observed. The intense emission lines were associated with the Kr transition lines. Experimental and theoretical investigations on intensity variations for some ionic lines are presented. A decrease in the intensity with the delay time between the laser pulse and the spectrum acquisition was revealed. Electron temperature and electron density in the photoionized plasma have been estimated from the characteristic emission lines. Temperature was obtained using Boltzmann plot method, assuming that the population density of atoms and ions are considered in a local thermodynamic equilibrium (LTE). Electron density was calculated from the Stark broadening profile. The temporal evaluation of the plasma and the way of optimizing the radiation intensity of LPP EUV sources is discussed.

Photoionization sensors for non-invasive medical diagnostics

NASA Astrophysics Data System (ADS)

Mustafaev, Aleksandr; Rastvorova, Iuliia; Khobnya, Kristina; Podenko, Sofia

2016-09-01

The analysis of biomarkers can help to identify the significant number of diseases: lung cancer, tuberculosis, diabetes, high levels of stress, psychosomatic disorders etc. To implement continuous monitoring of the state of human health, compact VUV photoionization detector with current-voltage measurement is designed by Saint-Petersburg Mining University Plasma Research Group. This sensor is based on the patented method of stabilization of electric parameters - CES (Collisional Electron Spectroscopy). During the operation at atmospheric pressure VUV photoionization sensor measures the energy of electrons, produced in the ionization with the resonance photons, whose wavelength situated in the vacuum ultraviolet (VUV). A special software was developed to obtain the second-order derivative of the I-U characteristics, taken by the VUV sensor, to construct the energy spectra of the characteristic electrons. VUV photoionization detector has an unique set of parameters: small size (10*10*1 mm), low cost, wide range of recognizable molecules, as well as accuracy, sufficient for using this instrument for the medical purposes. This device can be used for non-invasive medical diagnostics without compromising the quality of life, for control of environment and human life. Work supported by Foundation for Assistance to Small Innovative Enterprises in Science and Technology.

Interchannel coupling effects in the valence photoionization of SF{sub 6}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jose, J.; Lucchese, R. R., E-mail: lucchese@mail.chem.tamu.edu; Rescigno, T. N.

2014-05-28

The complex Kohn and polyatomic Schwinger variational techniques have been employed to illustrate the interchannel coupling correlation effects in the valence photoionization dynamics of SF{sub 6}. Partial photoionization cross sections and asymmetry parameters of six valence subshells (1t{sub 1g}, 5t{sub 1u}, 1t{sub 2u}, 3e{sub g}, 1t{sub 2g}, 4t{sub 1u}) are discussed in the framework of several theoretical and experimental studies. The complex Kohn results are in rather good agreement with experimental results, indicative of the fact that the interchannel coupling effects alter the photoionization dynamics significantly. We find that the dominant effect of interchannel coupling is to reduce the magnitudemore » of shape resonant cross sections near the threshold and to induce resonant features in other channels to which resonances are coupled. The long-standing issue concerning ordering of the valence orbitals is addressed and confirmed 4t{sub 1u}{sup 6}1t{sub 2g}{sup 6}3e{sub g}{sup 4}(5t{sub 1u}{sup 6}+1t{sub 2u}{sup 6}) 1t{sub 1g}{sup 6} as the most likely ordering.« less

Photoionization Modeling and the K Lines of Iron

NASA Technical Reports Server (NTRS)

Kallman, T. R.; Palmeri, P.; Bautista, M. A.; Mendoza, C.; Krolik, J. H.

2004-01-01

We calculate the efficiency of iron K line emission and iron K absorption in photoionized models using a new set of atomic data. These data are more comprehensive than those previously applied to the modeling of iron K lines from photoionized gases, and allow us to systematically examine the behavior of the properties of line emission and absorption as a function of the ionization parameter, density and column density of model constant density clouds. We show that, for example, the net fluorescence yield for the highly charged ions is sensitive to the level population distribution produced by photoionization, and these yields are generally smaller than those predicted assuming the population is according to statistical weight. We demonstrate that the effects of the many strongly damped resonances below the K ionization thresholds conspire to smear the edge, thereby potentially affecting the astrophysical interpretation of absorption features in the 7-9 keV energy band. We show that the centroid of the ensemble of K(alpha) lines, the K(beta) energy, and the ratio of the K(alpha(sub 1)) to K(alpha(sub 2)) components are all diagnostics of the ionization parameter of our model slabs.

Water ice clouds on Mars: a study of partial cloudiness with a global climate model and MARCI data

NASA Astrophysics Data System (ADS)

Pottier, Alizée; Montmessin, Franck; Forget, François; Wolff, Mike; Navarro, Thomas; Millour, Ehouarn; Madeleine, Jean-Baptiste; Spiga, Aymeric; Bertrand, Tanguy

2015-04-01

There is a large reservoir of water ice on Mars in the polar caps, that sublimates in summer and releases water vapor. Water is then advected in the atmospheric circulation that evolves seasonally. This vapor forms clouds, frost, and can also be adsorbed in the soil. In a global study of the water cycle, water ice clouds play a key part in the martian climate. There is a need to understand better their distribution and radiative effect. The tool used in this study is the global climate model (GCM) of the Laboratoire de Météorologie Dynamique. It is made up of a core that computes fluid dynamics, and a physical part that gathers a number of parametrised processes. It includes tracers and the condensation and sublimation of water in the atmosphere and on the ground, allowing a study of the complete water cycle. To improve the representation of water ice clouds in the model, a new parametrisation of partial cloudiness has been implemented and will be presented. Indeed, model cells are hundreds of kilometers wide, and it is quite unrealistic to suppose that cloud coverage is always uniform in them. Furthermore, the model was quite unstable since the implementation of the radiative effect of clouds, and partial cloudiness had the effect of reducing this instability. In practice, a subgrid temperature distribution is supposed, and the temperature computed in the model is interpreted as its mean. The subgrid scale temperature distribution is simple, and its width is a free parameter. Using this distribution, the fraction of the grid cells under the water vapor condensation temperature is interpreted as the fraction of the cell in which clouds form (or cloud fraction). From these fractions at each height a total partial cloudiness (the clouds as seen from the orbit) is deduced. The radiative transfer is computed twice, for the clear area and for the cloudy one. Observing the water cycle with this new parametrisation, some differences are seen with standard runs. These changes mainly affect the aphelion cloud belt and the polar hoods. Partial cloudiness is compared to higher resolution (one per one degree) runs in which cloudiness diagnostics are done. MARCI data of cloud opacity is also used to verify the predicted water ice cloud distribution and patchiness. The aim is to understand the causes of patchiness and to validate the choice of a subgrid scale temperature distribution. There are seasonal variations, recurring patterns near major topographical features.

Single photoionization of the Zn II ion in the photon energy range 17.5-90.0 eV: experiment and theory

NASA Astrophysics Data System (ADS)

Hinojosa, G.; Davis, V. T.; Covington, A. M.; Thompson, J. S.; Kilcoyne, A. L. D.; Antillón, A.; Hernández, E. M.; Calabrese, D.; Morales-Mori, A.; Juárez, A. M.; Windelius, O.; McLaughlin, B. M.

2017-10-01

Measurements of the single-photoionization cross-section of Cu-like Zn+ ions are reported in the energy (wavelength) range 17.5 eV (708 Å) to 90 eV (138 Å). The measurements on this trans-Fe element were performed at the Advanced Light Source synchrotron radiation facility in Berkeley, California at a photon energy resolution of 17 meV using the photon-ion merged-beams end-station. Below 30 eV, the spectrum is dominated by excitation autoionizing resonance states. The experimental results are compared with large-scale photoionization cross-section calculations performed using a Dirac Coulomb R-matrix approximation. Comparisons are made with previous experimental studies, resonance states are identified and contributions from metastable states of Zn+ are determined.

Single and Double Photoionization of Mg

NASA Astrophysics Data System (ADS)

Abdel-Naby, Shahin; Pindzola, M. S.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Mg are calculated using a time-dependent close-coupling method. The correlation between the two 3 s subshell electrons of Mg is obtained by relaxation of the close-coupled equations in imaginary time. An implicit method is used to propagate the close-coupled equations in real time to obtain single and double ionization cross sections for Mg. Energy and angle triple differential cross sections for double photoionization at equal energy sharing of E1 =E2 = 16 . 4 eV are compared with Elettra experiments and previous theoretical calculations. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Photoionization of Ne8+

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Abdel-Naby, Sh. A.; Robicheaux, F.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Ne8+ are calculated using a non-perturbative fully relativistic time-dependent close-coupling method. A Bessel function expansion is used to include both dipole and quadrupole effects in the radiation field interaction and the repulsive interaction between electrons includes both the Coulomb and Gaunt interactions. The fully correlated ground state of Ne8+ is obtained by solving a time-independent inhomogeneous set of close-coupled equations. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ at energies easily accessible at advanced free electron laser facilities. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Electron impact ionization in the vicinity of comets

NASA Astrophysics Data System (ADS)

Cravens, T. E.; Kozyra, J. U.; Nagy, A. F.; Gombosi, T. I.; Kurtz, M.

1987-07-01

The solar wind interacts very strongly with the extensive cometary coma, and the various interaction processes are initiated by the ionization of cometary neutrals. The main ionization mechanism far outside the cometary bow shock is photoionization by solar extreme ultraviolet radiation.Electron distributions measured in the vicinity of comets Halley and Giacobini-Zinner by instruments on the VEGA and ICE spacecraft, respectively, are used to calculate electron impact ionization frequencies. Ionization by electrons is of comparable importance to photoionization in the magnetosheaths of Comets Halley and Giacobini-Zinner. The ionization frequency in the inner part of the cometary plasma region of comet Halley is several times greater than the photoionization value. Tables of ionization frequencies as functions of electron temperature are presented for H2O, CO2, CO, O, N2, and H.

Waves in a Cloudy Vortex

DTIC Science & Technology

2007-02-01

Waves in a Cloudy Vortex DAVID A. SCHECTER Department of Atmospheric Science, Colorado State University, Fort Collins, Colorado MICHAEL T. MONTGOMERY...waves account for precessing tilts and elliptical (triangular, square, etc.) deformations of the vortex core. If the Rossby number of the cyclone ex...ceeds unity, its baroclinic VR waves can efficiently ex- Corresponding author address: Dr. David Schecter, NorthWest Research Associates, 14508 NE 20th

Decision-Based Design of a Low Vision Aid

DTIC Science & Technology

1999-12-05

No loss ML 32 Aniridia Cloudy No Loss TT 35 Glaucoma Cloudy No Loss MM 23 Stargardt Disease Clear Loss AP 40 Congenital Retinal Malformations...brief clinical background evaluation, and a post-experiment questionnaire. The study was further expanded in scope to gather data for the VRD...Introduction and clinical evaluation 3) Experiments with red, blue and green images 4) Experiments with white images 5) Post experiment

Local effects of partly cloudy skies on solar and emitted radiations

NASA Technical Reports Server (NTRS)

Whitney, D. A.; Venable, D. D.

1981-01-01

Solar radiation measurements are made on a routine basis. Global solar, atmospheric emitted, downwelled diffuse solar, and direct solar radiation measurement systems are fully operational with the first two in continuous operation. Fractional cloud cover measurements are made from GOES imagery or from ground based whole sky photographs. Normalized global solar irradiance values for partly cloudy skies were correlated to fractional cloud cover.

Observation of the spectrally invariant properties of clouds in cloudy-to-clear transition zones during the MAGIC field campaign

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Weidong; Marshak, Alexander; McBride, Patrick J.

2016-12-01

We use the spectrally invariant method to study the variability of cloud optical thickness τ and droplet effective radius reff in transition zones (between the cloudy and clear sky columns) observed from Solar Spectral Flux Radiometer (SSFR) and Shortwave Array Spectroradiometer-Zenith (SASZe) during the Marine ARM GPCI Investigation of Clouds (MAGIC) field campaign. The measurements from the SSFR and the SASZe are different, however inter-instrument differences of self-normalized measurements (divided by their own spectra at a fixed time) are small. The spectrally invariant method approximates the spectra in the cloud transition zone as a linear combination of definitely clear andmore » cloudy spectra, where the coefficients, slope and intercept, character-ize the spectrally invariant properties of the transition zone. Simulation results from the SBDART (Santa Barbara DISORT Atmospheric Radiative Transfer) model demonstrate that (1) the slope of the visible band is positively correlated with the cloud optical thickness τ while the intercept of the near-infrared band has high negative cor-relation with the cloud drop effective radius reff even without the exact knowledge of τ; (2) the above relations hold for all Solar Zenith Angle (SZA) and for cloud-contaminated skies. In observations using redundant measure-ments from SSFR and SASZe, we find that during cloudy-to-clear transitions, (a) the slopes of the visible band de-crease, and (b) the intercepts of the near-infrared band remain almost constant near cloud edges. The findings in simulations and observations suggest that, while the optical thickness decreases during the cloudy-to-clear transition, the cloud drop effective radius does not change when cloud edges are approached. These results sup-port the hypothesis that inhomogeneous mixing dominates near cloud edges in the studied cases.« less

Observation of the spectrally invariant properties of clouds in cloudy-to-clear transition zones during the MAGIC field campaign

DOE PAGES

Yang, Weidong; Marshak, Alexander; McBride, Patrick J.; ...

2016-08-11

We use the spectrally invariant method to study the variability of cloud optical thickness τ and droplet effective radius r eff in transition zones (between the cloudy and clear sky columns) observed from Solar Spectral Flux Radiometer (SSFR) and Shortwave Array Spectroradiometer-Zenith (SASZe) during the Marine ARM GPCI Investigation of Clouds (MAGIC) field campaign. The measurements from the SSFR and the SASZe are different, however inter-instrument differences of self-normalized measurements (divided by their own spectra at a fixed time) are small. The spectrally invariant method approximates the spectra in the cloud transition zone as a linear combination of definitely clearmore » and cloudy spectra, where the coefficients, slope and intercept, characterize the spectrally invariant properties of the transition zone. Simulation results from the SBDART (Santa Barbara DISORT Atmospheric Radiative Transfer) model demonstrate that (1) the slope of the visible band is positively correlated with the cloud optical thickness τ while the intercept of the near-infrared band has high negative correlation with the cloud drop effective radius r eff even without the exact knowledge of τ; (2) the above relations hold for all Solar Zenith Angle (SZA) and for cloud-contaminated skies. In observations using redundant measurements from SSFR and SASZe, we find that during cloudy-to-clear transitions, (a) the slopes of the visible band decrease, and (b) the intercepts of the near-infrared band remain almost constant near cloud edges. The findings in simulations and observations suggest that, while the optical thickness decreases during the cloudy-to-clear transition, the cloud drop effective radius does not change when cloud edges are approached. Furthermore, these results support the hypothesis that inhomogeneous mixing dominates near cloud edges in the studied cases.« less

Observation of the Spectrally Invariant Properties of Clouds in Cloudy-to-Clear Transition Zones During the MAGIC Field Campaign

NASA Technical Reports Server (NTRS)

Yang, Weidong; Marshak, Alexander; McBride, Patrick; Chiu, J. Christine; Knyazikhin, Yuri; Schmidt, K. Sebastian; Flynn, Connor; Lewis, Ernie R.; Eloranta, Edwin W.

2016-01-01

We use the spectrally invariant method to study the variability of cloud optical thickness tau and droplet effective radius r(sub eff) in transition zones (between the cloudy and clear sky columns) observed from Solar Spectral Flux Radiometer (SSFR) and Shortwave Array Spectroradiometer-Zenith (SASZe) during the Marine ARM GPCI Investigation of Clouds (MAGIC) field campaign. The measurements from the SSFR and the SASZe are different, however inter-instrument differences of self-normalized measurements (divided by their own spectra at a fixed time) are small. The spectrally invariant method approximates the spectra in the cloud transition zone as a linear combination of definitely clear and cloudy spectra, where the coefficients, slope and intercept, characterize the spectrally invariant properties of the transition zone. Simulation results from the SBDART (Santa Barbara DISORT Atmospheric Radiative Transfer) model demonstrate that (1) the slope of the visible band is positively correlated with the cloud optical thickness t while the intercept of the near-infrared band has high negative correlation with the cloud drop effective radius r(sub eff)even without the exact knowledge of tau; (2) the above relations hold for all Solar Zenith Angle (SZA) and for cloud-contaminated skies. In observations using redundant measurements from SSFR and SASZe, we find that during cloudy-to-clear transitions, (a) the slopes of the visible band decrease, and (b) the intercepts of the near-infrared band remain almost constant near cloud edges. The findings in simulations and observations suggest that, while the optical thickness decreases during the cloudy-to-clear transition, the cloud drop effective radius does not change when cloud edges are approached. These results support the hypothesis that inhomogeneous mixing dominates near cloud edges in the studied cases.

Effect of enzymatic mash treatment and storage on phenolic composition, antioxidant activity, and turbidity of cloudy apple juice.

PubMed

Oszmiański, Jan; Wojdylo, Aneta; Kolniak, Joanna

2009-08-12

The effects of different commercial enzymatic mash treatments on yield, turbidity, color, and polyphenolic and sediment of procyanidins content of cloudy apple juice were studied. Addition of pectolytic enzymes to mash treatment had positive effect on the production of cloud apple juices by improving polyphenolic contents, especially procyanidins and juice yields (68.3% in control samples to 77% after Pectinex Yield Mash). As summary of the effect of enzymatic mash treatment, polyphenol contents in cloudy apple juices significantly increased after Pectinex Yield Mash, Pectinex Smash XXL, and Pectinex XXL maceration were applied but no effect was observed after Pectinex Ultra-SPL I Panzym XXL use, compared to the control samples. The content of polymeric procyanidins represented 50-70% of total polyphenols, but in the present study, polymeric procyanidins were significantly lower in juices than in fruits and also affected by enzymatic treatment (Pectinex AFP L-4 and Panzym Yield Mash) compared to the control samples. The enzymatic treatment decreased procyanidin content in most sediment with the exception of Pectinex Smash XXL and Pectinex AFP L-4. Generally in samples that were treated by pectinase, radical scavenging activity of cloudy apple juices was increased compared to the untreated reference samples. The highest radical scavenging activity was associated with Pectinex Yield Mash, Pectinex Smash XXL, and Pectinex XXL enzyme and the lowest activity with Pectinex Ultra SP-L and Pectinex APFL-4. However, in the case of enzymatic mash treatment cloudy apple juices showed instability of turbidity and low viscosity. These results must be ascribed to the much higher hydrolysis of pectin by enzymatic preparation which is responsible for viscosity. During 6 months of storage at 4 degrees C small changes in analyzed parameters of apple juices were observed.

Kinetic Modeling of Ultraintense X-ray Laser-Matter Interactions

NASA Astrophysics Data System (ADS)

Royle, Ryan; Sentoku, Yasuhiko; Mancini, Roberto

2016-10-01

Hard x-ray free-electron lasers (XFELs) have had a profound impact on the physical, chemical, and biological sciences. They can produce millijoule x-ray laser pulses just tens of femtoseconds in duration with more than 1012 photons each, making them the brightest laboratory x-ray sources ever produced by several orders of magnitude. An XFEL pulse can be intensified to 1020 W/cm2 when focused to submicron spot sizes, making it possible to isochorically heat solid matter well beyond 100 eV. These characteristics enable XFELs to create and probe well-characterized warm and hot dense plasmas of relevance to HED science, planetary science, laboratory astrophysics, relativistic laser plasmas, and fusion research. Several newly developed atomic physics models including photoionization, Auger ionization, and continuum-lowering have been implemented in a particle-in-cell code, PICLS, which self-consistently solves the x-ray transport, to enable the simulation of the non-LTE plasmas created by ultraintense x-ray laser interactions with solid density matter. The code is validated against the results of several recent experiments and is used to simulate the maximum-intensity x-ray heating of solid iron targets. This work was supported by DOE/OFES under Contract No. DE-SC0008827.

Photoionization research on atomic radiation. 3: The ionization cross section of atomic nitrogen

NASA Technical Reports Server (NTRS)

Comes, F. J.; Elzer, A.

1982-01-01

The photoionization cross section of atomic nitrogen was measured between the ionization limit and 432 A. The experimental values are well fitted by those from a calculation of HENRY due to the dipole velocity approximation. A Rydberg series converging to the 5S-state of the ion is clearly identified from the ionization measurements and is shown to ionize.

Total absorption and photoionization cross sections of water vapor between 100 and 1000 A

NASA Technical Reports Server (NTRS)

Haddad, G. N.; Samson, J. A. R.

1986-01-01

Absolute photoabsorption and photoionization cross sections of water vapor are reported at a large number of discrete wavelengths between 100 and 1000 A with an estimate error of + or - 3 percent in regions free from any discrete structure. The double ionization chamber technique utilized is described. Recent calculations are shown to be in reasonable agreement with the present data.

FAST TRACK COMMUNICATION: First prediction of the direct effect of a confined atom on photoionization of the confining fullerene

NASA Astrophysics Data System (ADS)

McCune, Matthew A.; De, Ruma; Madjet, Mohamed E.; Chakraborty, Himadri S.

2010-09-01

We predict that the confined atom can qualitatively modify the energetic photoionization of some cage levels, even though these levels are of very dominant fullerene character. The effect imposes strong new oscillations in the cross sections which are forbidden to the ionization of empty fullerenes. Results are presented for the Ar@C60 endofullerene compound.

Effect of core polarizability on photoionization cross-section calculations.

NASA Technical Reports Server (NTRS)

Kirkpatrick, R. C.

1972-01-01

Demonstration of the importance of core polarizability in a case where cancellation is only moderate, with suggestion of an improvement to the scaled Thomas-Fermi (STF) wave functions of Stewart and Rotenberg (1965). The inclusion of dipole polarizability of the core for argon is shown to substantially improve the agreement between the theoretical and experimental photoionization cross sections for the ground-state configuration.

Gas amplified ionization detector for gas chromatography

DOEpatents

Huston, Gregg C.

1992-01-01

A gas-amplified ionization detector for gas chromatrography which possesses increased sensitivity and a very fast response time. Solutes eluding from a gas chromatographic column are ionized by UV photoionization of matter eluting therefrom. The detector is capable of generating easily measured voltage signals by gas amplification/multiplication of electron products resulting from the UV photoionization of at least a portion of each solute passing through the detector.

Relativistic Photoionization Computations with the Time Dependent Dirac Equation

DTIC Science & Technology

2016-10-12

fields often occurs in the relativistic regime. A complete description of this phenomenon requires both relativistic and quantum mechanical treatment...photoionization, or other relativis- tic quantum electronics problems. While the Klein-Gordon equation captures much of the relevant physics, especially...for moderately heavy ions (Z 137), it does neglect the spin polarization of the electron. This memo parallels [1], but replaces the Klein-Gordon

Revealing isomerism in sodium-water clusters: Photoionization spectra of Na(H2O)n (n = 2-90)

NASA Astrophysics Data System (ADS)

Dierking, Christoph W.; Zurheide, Florian; Zeuch, Thomas; Med, Jakub; Parez, Stanislav; Slavíček, Petr

2017-06-01

Soft ionization of sodium tagged polar clusters is increasingly used as a powerful technique for sizing and characterization of small aerosols with possible application, e.g., in atmospheric chemistry or combustion science. Understanding the structure and photoionization of the sodium doped clusters is critical for such applications. In this work, we report on measurements of photoionization spectra for sodium doped water clusters containing 2-90 water molecules. While most of the previous studies focused on the ionization threshold of the Na(H2O)n clusters, we provide for the first time full photoionization spectra, including the high-energy region, which are used as reference for a comparison with theory. As reported in previous work, we have seen an initial drop of the appearance ionization energy with cluster size to values of about 3.2 eV for n <5 . In the size range from n = 5 to n = 15, broad ion yield curves emerge; for larger clusters, a constant range between signal appearance (˜2.8 eV) and signal saturation (˜4.1 eV) has been observed. The measurements are interpreted with ab initio calculations and ab initio molecular dynamics simulations for selected cluster sizes (n ≤ 15). The simulations revealed theory shortfalls when aiming at quantitative agreement but allowed us identifying structural motifs consistent with the observed ionization energy distributions. We found a decrease in the ionization energy with increasing coordination of the Na atom and increasing delocalization of the Na 3s electron cloud. The appearance ionization energy is determined by isomers with fully solvated sodium and a highly delocalized electron cloud, while both fully and incompletely solvated isomers with localized electron clouds can contribute to the high energy part of the photoionization spectrum. Simulations at elevated temperatures show an increased abundance of isomers with low ionization energies, an entropic effect enabling size selective infrared action spectroscopy, based on near threshold photoionization of Na(H2O)n clusters. In addition, simulations of the sodium pick-up process were carried out to study the gradual formation of the hydrated electron which is the basis of the sodium-tagging sizing.

Revealing isomerism in sodium-water clusters: Photoionization spectra of Na(H2O)n (n = 2-90).

PubMed

Dierking, Christoph W; Zurheide, Florian; Zeuch, Thomas; Med, Jakub; Parez, Stanislav; Slavíček, Petr

2017-06-28

Soft ionization of sodium tagged polar clusters is increasingly used as a powerful technique for sizing and characterization of small aerosols with possible application, e.g., in atmospheric chemistry or combustion science. Understanding the structure and photoionization of the sodium doped clusters is critical for such applications. In this work, we report on measurements of photoionization spectra for sodium doped water clusters containing 2-90 water molecules. While most of the previous studies focused on the ionization threshold of the Na(H 2 O) n clusters, we provide for the first time full photoionization spectra, including the high-energy region, which are used as reference for a comparison with theory. As reported in previous work, we have seen an initial drop of the appearance ionization energy with cluster size to values of about 3.2 eV for n<5. In the size range from n = 5 to n = 15, broad ion yield curves emerge; for larger clusters, a constant range between signal appearance (∼2.8 eV) and signal saturation (∼4.1 eV) has been observed. The measurements are interpreted with ab initio calculations and ab initio molecular dynamics simulations for selected cluster sizes (n≤ 15). The simulations revealed theory shortfalls when aiming at quantitative agreement but allowed us identifying structural motifs consistent with the observed ionization energy distributions. We found a decrease in the ionization energy with increasing coordination of the Na atom and increasing delocalization of the Na 3s electron cloud. The appearance ionization energy is determined by isomers with fully solvated sodium and a highly delocalized electron cloud, while both fully and incompletely solvated isomers with localized electron clouds can contribute to the high energy part of the photoionization spectrum. Simulations at elevated temperatures show an increased abundance of isomers with low ionization energies, an entropic effect enabling size selective infrared action spectroscopy, based on near threshold photoionization of Na(H 2 O) n clusters. In addition, simulations of the sodium pick-up process were carried out to study the gradual formation of the hydrated electron which is the basis of the sodium-tagging sizing.

Studies of Ionic Photoionization Using Relativistic Random Phase Approximation and Relativistic Multichannel Quantum Defect Theory

NASA Astrophysics Data System (ADS)

Haque, Ghousia Nasreen

The absorption of electromagnetic radiation by positive ions is one of the fundamental processes of nature which occurs in every intensely hot environment. Due to the difficulties in producing sufficient densities of ions in a laboratory, there are very few measurements of ionic photoabsorption parameters. On the theoretical side, some calculations have been made of a few major photoionization parameters, but generally speaking, most of the work done so far has employed rather simple single particle models and any theoretical work which has adequately taken into account intricate atomic many-body and relativistic effects is only scanty. In the present work, several complex aspects of atomic/ionic photoabsorption parameters have been studied. Non -resonant photoionization in neon and argon isonuclear as well as isoelectronic sequences has been studied using a very sophisticated technique, namely the relativistic random phase approximation (RRPA). This technique takes into account relativistic effects as well as an important class of major many-body effects on the same footing. The present calculations confirmed that gross features of photoionization parameters calculated using simpler models were not an artifact of the simple model. Also, the present RRPA calculations on K^+ ion and neutral Ar brought out the relative importance of various many-body effects such the inter-channel coupling. Inter-channel coupling between discrete bound state photoexcitation channels from an inner atomic/ionic level and photoionization continuum channels from an outer atomic/ionic level leads to the phenomena of autoionization resonances in the photoionization process. These resonances lead to very complex effects in the atomic/ionic photoabsorption spectra. These resonances have been calculated and studied in the present work in the neon and magnesium isoelectronic sequences using the relativistic multi-channel quantum defect theory (RMQDT) within the framework of the RRPA. The character of the autoionization resonances studied was determined in the present work and the effect of series perturbations in the Rydberg series due to interference between various multichannel processes was quantitatively determined. Furthermore, results of the present calculations also serve as important pointer to measure the relative strengths of radiative (fluorescence) decay modes and non -radiative (autoionization/auger) decay modes in an isoelectronic sequence.

Methods for Cloud Cover Estimation

NASA Technical Reports Server (NTRS)

Glackin, D. L.; Huning, J. R.; Smith, J. H.; Logan, T. L.

1984-01-01

Several methods for cloud cover estimation are described relevant to assessing the performance of a ground-based network of solar observatories. The methods rely on ground and satellite data sources and provide meteorological or climatological information. One means of acquiring long-term observations of solar oscillations is the establishment of a ground-based network of solar observatories. Criteria for station site selection are: gross cloudiness, accurate transparency information, and seeing. Alternative methods for computing this duty cycle are discussed. The cycle, or alternatively a time history of solar visibility from the network, can then be input to a model to determine the effect of duty cycle on derived solar seismology parameters. Cloudiness from space is studied to examine various means by which the duty cycle might be computed. Cloudiness, and to some extent transparency, can potentially be estimated from satellite data.

The radiative impact of cumulus cloudiness in a general circulation model

NASA Technical Reports Server (NTRS)

Moeng, C. H.; Randall, D. A.

1982-01-01

The effect of cumulus cloudiness on the radiational heating and, on other aspects of the climate were simulated by the GLAS Climate Model. An experiment in which the cumulus cloudiness is neglected completely for purposes of the solar and terrestrial radiation parameterizations was performed. The results are compared with those of a control run, in which 100% cumulus cloud cover is assumed. The net solar radiation input into the Earth atmosphere system is more realistic in the experiment, and the model's underprediction of the global mean outgoing thermal radiation at the top of the atmosphere is reduced. The results suggest that there is a positive feedback between cumulus convection and the radiation field. The upper troposphere is warmer in the experiment, the surface air temperature increases over land, and the thermal lows over the continents intensity.

Evidence for Ultra-fast Outflows in Radio-quiet Active Galactic Nuclei. II. Detailed Photoionization Modeling of Fe K-shell Absorption Lines

NASA Astrophysics Data System (ADS)

Tombesi, F.; Cappi, M.; Reeves, J. N.; Palumbo, G. G. C.; Braito, V.; Dadina, M.

2011-11-01

X-ray absorption line spectroscopy has recently shown evidence for previously unknown Ultra-fast Outflows (UFOs) in radio-quiet active galactic nuclei (AGNs). These have been detected essentially through blueshifted Fe XXV/XXVI K-shell transitions. In the previous paper of this series we defined UFOs as those highly ionized absorbers with an outflow velocity higher than 10,000 km s-1 and assessed the statistical significance of the associated blueshifted absorption lines in a large sample of 42 local radio-quiet AGNs observed with XMM-Newton. The present paper is an extension of that work. First, we report a detailed curve of growth analysis of the main Fe XXV/XXVI transitions in photoionized plasmas. Then, we estimate an average spectral energy distribution for the sample sources and directly model the Fe K absorbers in the XMM-Newton spectra with the detailed Xstar photoionization code. We confirm that the frequency of sources in the radio-quiet sample showing UFOs is >35% and that the majority of the Fe K absorbers are indeed associated with UFOs. The outflow velocity distribution spans from ~10,000 km s-1 (~0.03c) up to ~100,000 km s-1 (~0.3c), with a peak and mean value of ~42,000 km s-1 (~0.14c). The ionization parameter is very high and in the range log ξ ~ 3-6 erg s-1 cm, with a mean value of log ξ ~ 4.2 erg s-1 cm. The associated column densities are also large, in the range N H ~ 1022-1024 cm-2, with a mean value of N H ~ 1023 cm-2. We discuss and estimate how selection effects, such as those related to the limited instrumental sensitivity at energies above 7 keV, may hamper the detection of even higher velocities and higher ionization absorbers. We argue that, overall, these results point to the presence of extremely ionized and possibly almost Compton-thick outflowing material in the innermost regions of AGNs. This also suggests that UFOs may potentially play a significant role in the expected cosmological feedback from AGNs and their study can provide important clues on the connection between accretion disks, winds, and jets.

Insights into low-latitude cloud feedbacks from high-resolution models.

PubMed

Bretherton, Christopher S

2015-11-13

Cloud feedbacks are a leading source of uncertainty in the climate sensitivity simulated by global climate models (GCMs). Low-latitude boundary-layer and cumulus cloud regimes are particularly problematic, because they are sustained by tight interactions between clouds and unresolved turbulent circulations. Turbulence-resolving models better simulate such cloud regimes and support the GCM consensus that they contribute to positive global cloud feedbacks. Large-eddy simulations using sub-100 m grid spacings over small computational domains elucidate marine boundary-layer cloud response to greenhouse warming. Four observationally supported mechanisms contribute: 'thermodynamic' cloudiness reduction from warming of the atmosphere-ocean column, 'radiative' cloudiness reduction from CO2- and H2O-induced increase in atmospheric emissivity aloft, 'stability-induced' cloud increase from increased lower tropospheric stratification, and 'dynamical' cloudiness increase from reduced subsidence. The cloudiness reduction mechanisms typically dominate, giving positive shortwave cloud feedback. Cloud-resolving models with horizontal grid spacings of a few kilometres illuminate how cumulonimbus cloud systems affect climate feedbacks. Limited-area simulations and superparameterized GCMs show upward shift and slight reduction of cloud cover in a warmer climate, implying positive cloud feedbacks. A global cloud-resolving model suggests tropical cirrus increases in a warmer climate, producing positive longwave cloud feedback, but results are sensitive to subgrid turbulence and ice microphysics schemes. © 2015 The Author(s).

Impacts of Diffuse Radiation on Light Use Efficiency across Terrestrial Ecosystems Based on Eddy Covariance Observation in China

PubMed Central

Huang, Kun; Wang, Shaoqiang; Zhou, Lei; Wang, Huimin; Zhang, Junhui; Yan, Junhua; Zhao, Liang; Wang, Yanfen; Shi, Peili

2014-01-01

Ecosystem light use efficiency (LUE) is a key factor of production models for gross primary production (GPP) predictions. Previous studies revealed that ecosystem LUE could be significantly enhanced by an increase on diffuse radiation. Under large spatial heterogeneity and increasing annual diffuse radiation in China, eddy covariance flux data at 6 sites across different ecosystems from 2003 to 2007 were used to investigate the impacts of diffuse radiation indicated by the cloudiness index (CI) on ecosystem LUE in grassland and forest ecosystems. Our results showed that the ecosystem LUE at the six sites was significantly correlated with the cloudiness variation (0.24≤R2≤0.85), especially at the Changbaishan temperate forest ecosystem (R2 = 0.85). Meanwhile, the CI values appeared more frequently between 0.8 and 1.0 in two subtropical forest ecosystems (Qianyanzhou and Dinghushan) and were much larger than those in temperate ecosystems. Besides, cloudiness thresholds which were favorable for enhancing ecosystem carbon sequestration existed at the three forest sites, respectively. Our research confirmed that the ecosystem LUE at the six sites in China was positively responsive to the diffuse radiation, and the cloudiness index could be used as an environmental regulator for LUE modeling in regional GPP prediction. PMID:25393629

Impacts of diffuse radiation on light use efficiency across terrestrial ecosystems based on Eddy covariance observation in China.

PubMed

Huang, Kun; Wang, Shaoqiang; Zhou, Lei; Wang, Huimin; Zhang, Junhui; Yan, Junhua; Zhao, Liang; Wang, Yanfen; Shi, Peili

2014-01-01

Ecosystem light use efficiency (LUE) is a key factor of production models for gross primary production (GPP) predictions. Previous studies revealed that ecosystem LUE could be significantly enhanced by an increase on diffuse radiation. Under large spatial heterogeneity and increasing annual diffuse radiation in China, eddy covariance flux data at 6 sites across different ecosystems from 2003 to 2007 were used to investigate the impacts of diffuse radiation indicated by the cloudiness index (CI) on ecosystem LUE in grassland and forest ecosystems. Our results showed that the ecosystem LUE at the six sites was significantly correlated with the cloudiness variation (0.24 ≤ R(2) ≤ 0.85), especially at the Changbaishan temperate forest ecosystem (R(2) = 0.85). Meanwhile, the CI values appeared more frequently between 0.8 and 1.0 in two subtropical forest ecosystems (Qianyanzhou and Dinghushan) and were much larger than those in temperate ecosystems. Besides, cloudiness thresholds which were favorable for enhancing ecosystem carbon sequestration existed at the three forest sites, respectively. Our research confirmed that the ecosystem LUE at the six sites in China was positively responsive to the diffuse radiation, and the cloudiness index could be used as an environmental regulator for LUE modeling in regional GPP prediction.

Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

PubMed

Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

2014-05-14

Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

Competitive fragmentation pathways of acetic acid dimer explored by synchrotron VUV photoionization mass spectrometry and electronic structure calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guan Jiwen; Hu Yongjun; Zou Hao

2012-09-28

In present study, photoionization and dissociation of acetic acid dimers have been studied with the synchrotron vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. Besides the intense signal corresponding to protonated cluster ions (CH{sub 3}COOH){sub n}{center_dot}H{sup +}, the feature related to the fragment ions (CH{sub 3}COOH)H{sup +}{center_dot}COO (105 amu) via {beta}-carbon-carbon bond cleavage is observed. By scanning photoionization efficiency spectra, appearance energies of the fragments (CH{sub 3}COOH){center_dot}H{sup +} and (CH{sub 3}COOH)H{sup +}{center_dot}COO are obtained. With the aid of theoretical calculations, seven fragmentation channels of acetic acid dimer cations were discussed, where five cation isomers of acetic acid dimer are involved.more » While four of them are found to generate the protonated species, only one of them can dissociate into a C-C bond cleavage product (CH{sub 3}COOH)H{sup +}{center_dot}COO. After surmounting the methyl hydrogen-transfer barrier 10.84 {+-} 0.05 eV, the opening of dissociative channel to produce ions (CH{sub 3}COOH){sup +} becomes the most competitive path. When photon energy increases to 12.4 eV, we also found dimer cations can be fragmented and generate new cations (CH{sub 3}COOH){center_dot}CH{sub 3}CO{sup +}. Kinetics, thermodynamics, and entropy factors for these competitive dissociation pathways are discussed. The present report provides a clear picture of the photoionization and dissociation processes of the acetic acid dimer in the range of the photon energy 9-15 eV.« less

Rapid Reconnaissance Mapping of Volatile Organic Compounds by Photoionization Detection at the USGS Amargosa Desert Research Site

NASA Astrophysics Data System (ADS)

Thordsen, J. J.; Stonestrom, D. A.; Conaway, C. H.; Luo, W.; Baker, R. J.; Andraski, B. J.

2015-12-01

Two types of handheld photoionization detectors were evaluated in April 2015 for reconnaissance mapping of volatile organic compounds (VOCs) in the unsaturated zone surrounding legacy disposal trenches for commercial low-level radioactive waste near Beatty, Nevada (USA). This method is rapid and cost effective when compared to the more conventional procedure used ate the site, where VOCs are collected on sorbent cartridges in the field followed by thermal desorption, gas chromatographic separation, and quantitation by mass spectroscopy in the laboratory (TD-GC-MS analysis). Using the conventional method, more than sixty distinct compounds have been identified in the 110-m deep unsaturated zone vapor phase, and the changing nature of the VOC mix over a 15-yr timeframe has been recorded. Analyses to date have identified chlorofluorocarbons (CFCs), chlorinated ethenes, chlorinated ethanes, gasoline-range hydrocarbons, chloroform, and carbon tetrachloride as the main classes of VOCs present. The VOC plumes emanating from the various subgroups of trenches are characterized by different relative abundances of the compound classes, and total VOC concentrations that cover several orders of magnitude. One of the photoionization detectors, designed for industrial compliance testing, lacked sufficient dynamic range and sensitivity to be useful. The other, a wide range (1 ppb-20,000 ppm) research-grade instrument with a 10.6 eV photoionization detector (PID) lamp, produced promising results, detecting roughly half of the non-CFC VOCs present. The rapid and inexpensive photoionization method is envisioned as a screening tool to supplement, expedite, and direct the collection of additional samples for TD-GC-MS analyses at this and other VOC-contaminated sites.

Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruberti, M.; Yun, R.; Averbukh, V.

2014-05-14

Here, we extend the L{sup 2} ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in themore » ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N{sub 2}, and H{sub 2}O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.« less

Solid-Phase Microextraction Coupled to Capillary Atmospheric Pressure Photoionization-Mass Spectrometry for Direct Analysis of Polar and Nonpolar Compounds.

PubMed

Mirabelli, Mario F; Zenobi, Renato

2018-04-17

A novel capillary ionization source based on atmospheric pressure photoionization (cAPPI) was developed and used for the direct interfacing between solid-phase microextraction (SPME) and mass spectrometry (MS). The efficiency of the source was evaluated for direct and dopant-assisted photoionization, analyzing both polar (e.g., triazines and organophosphorus pesticides) and nonpolar (polycyclic aromatic hydrocarbons, PAHs) compounds. The results show that the range of compound polarity, which can be addressed by direct SPME-MS can be substantially extended by using cAPPI, compared to other sensitive techniques like direct analysis in real time (DART) and dielectric barrier discharge ionization (DBDI). The new source delivers a very high sensitivity, down to sub parts-per-trillion (ppt), making it a viable alternative when compared to previously reported and less comprehensive direct approaches.

Stability and dissociation dynamics of N{sub 2}{sup ++} ions following core ionization studied by an Auger-electron–photoion coincidence method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwayama, H.; Shigemasa, E.; SOKENDAI, Nishigonaka 38, Myodaiji, Okazaki 444-8585

An Auger-electron–photoion coincidence (AEPICO) method has been applied to study the stability and dissociation dynamics of dicationic states after the N K-shell photoionization of nitrogen molecules. From time-of-flight and kinetic energy analyses of the product ions, we have obtained coincident Auger spectra associated with metastable states of N{sub 2}{sup ++} ions and dissociative states leading to N{sub 2}{sup ++} → N{sup +} + N{sup +} and N{sup ++} + N. To investigate the production of dissociative states, we present two-dimensional AEPICO maps which reveal the correlations between the binding energies of the Auger final states and the ion kinetic energymore » release. These correlations have been used to determine the dissociation limits of individual Auger final states.« less

Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Galitskiy, S. A.; Artemyev, A. N.; Jänkälä, K.

2015-01-21

Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li{sub 2−8} are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the single center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some details general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li{submore » 2} are in a good agreement with the available theoretical data, whereas those computed for Li{sub 3−8} clusters can be considered as theoretical predictions.« less

VizieR Online Data Catalog: FeI photoionization cross sections and ECS (Bautista+, 2017)

NASA Astrophysics Data System (ADS)

Bautista, M. A.; Lind, K.; Bergemann, M.

2017-09-01

Two electronic files are provided with this publication. These are: xsection.txt. This table lists the total photoionization cross sections for all states of FeI found in the calculation. table5.dat. This table contains the Maxwellian averaged effective collision strengths for FeI. The effective collision strengths are listed for five temperatures between 3000 and 20,000K (3 data files).

Calculation of photoionization cross section near auto-ionizing lines and magnesium photoionization cross section near threshold

NASA Technical Reports Server (NTRS)

Moore, E. N.; Altick, P. L.

1972-01-01

The research performed is briefly reviewed. A simple method was developed for the calculation of continuum states of atoms when autoionization is present. The method was employed to give the first theoretical cross section for beryllium and magnesium; the results indicate that the values used previously at threshold were sometimes seriously in error. These threshold values have potential applications in astrophysical abundance estimates.

Multi-Chromatic Ultrashort Pulse Filamentation and Bulk Modification in Dielectrics

DTIC Science & Technology

2016-05-05

multi -pulse fields 7 6 Filamentation and bulk modification by spatio-temporally chirped pulses 8 7 Quantum modeling of photoionization and nonlinear...pulses. (b) two co-propagating pulses of di↵erent frequencies. 4) Develop non-time-averaged multi -chromatic quantum -mechanical models of photoion- ization...very well with those of the extended multi -rate equation using the relaxation approximation, which is much faster. A continued collaboration to also

Photoionized Mixing Layer Models of the Diffuse Ionized Gas

NASA Astrophysics Data System (ADS)

Binette, Luc; Flores-Fajardo, Nahiely; Raga, Alejandro C.; Drissen, Laurent; Morisset, Christophe

2009-04-01

It is generally believed that O stars, confined near the galactic midplane, are somehow able to photoionize a significant fraction of what is termed the "diffuse ionized gas" (DIG) of spiral galaxies, which can extend up to 1-2 kpc above the galactic midplane. The heating of the DIG remains poorly understood, however, as simple photoionization models do not reproduce the observed line ratio correlations well or the DIG temperature. We present turbulent mixing layer (TML) models in which warm photoionized condensations are immersed in a hot supersonic wind. Turbulent dissipation and mixing generate an intermediate region where the gas is accelerated, heated, and mixed. The emission spectrum of such layers is compared with observations of Rand of the DIG in the edge-on spiral NGC 891. We generate two sequence of models that fit the line ratio correlations between [S II]/Hα, [O I]/Hα, [N II]/[S II], and [O III]/Hβ reasonably well. In one sequence of models, the hot wind velocity increases, while in the other, the ionization parameter and layer opacity increase. Despite the success of the mixing layer models, the overall efficiency in reprocessing the stellar UV is much too low, much less than 1%, which compels us to reject the TML model in its present form.

Solvent jet desorption capillary photoionization-mass spectrometry.

PubMed

Haapala, Markus; Teppo, Jaakko; Ollikainen, Elisa; Kiiski, Iiro; Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

2015-03-17

A new ambient mass spectrometry method, solvent jet desorption capillary photoionization (DCPI), is described. The method uses a solvent jet generated by a coaxial nebulizer operated at ambient conditions with nitrogen as nebulizer gas. The solvent jet is directed onto a sample surface, from which analytes are extracted into the solvent and ejected from the surface in secondary droplets formed in collisions between the jet and the sample surface. The secondary droplets are directed into the heated capillary photoionization (CPI) device, where the droplets are vaporized and the gaseous analytes are ionized by 10 eV photons generated by a vacuum ultraviolet (VUV) krypton discharge lamp. As the CPI device is directly connected to the extended capillary inlet of the MS, high ion transfer efficiency to the vacuum of MS is achieved. The solvent jet DCPI provides several advantages: high sensitivity for nonpolar and polar compounds with limit of detection down to low fmol levels, capability of analyzing small and large molecules, and good spatial resolution (250 μm). Two ionization mechanisms are involved in DCPI: atmospheric pressure photoionization, capable of ionizing polar and nonpolar compounds, and solvent assisted inlet ionization capable of ionizing larger molecules like peptides. The feasibility of DCPI was successfully tested in the analysis of polar and nonpolar compounds in sage leaves and chili pepper.

Cloudy with a Chance of Sarcasm or Sunny with High Expectations: Using Best Practice Language to Strengthen Positive Behavior Intervention and Support Efforts

ERIC Educational Resources Information Center

Holloman, Hal; Yates, Peggy H.

2013-01-01

What's the forecast in your classroom? Are you forecasting cloudy with a chance of sarcasm or sunny with high expectations? A teacher's Language of Practice holds the key to creating a climate of mutual respect in our schools. This article will explore the power and promise of "teacher language," and how it can be used to…

Diurnal variability of regional cloud and clear-sky radiative parameters derived from GOES data. I - Analysis method. II - November 1978 cloud distributions. III - November 1978 radiative parameters

NASA Technical Reports Server (NTRS)

Minnis, P.; Harrison, E. F.

1984-01-01

Cloud cover is one of the most important variables affecting the earth radiation budget (ERB) and, ultimately, the global climate. The present investigation is concerned with several aspects of the effects of extended cloudiness, taking into account hourly visible and infrared data from the Geostationary Operational Environmental Satelite (GOES). A methodology called the hybrid bispectral threshold method is developed to extract regional cloud amounts at three levels in the atmosphere, effective cloud-top temperatures, clear-sky temperature and cloud and clear-sky visible reflectance characteristics from GOES data. The diurnal variations are examined in low, middle, high, and total cloudiness determined with this methodology for November 1978. The bulk, broadband radiative properties of the resultant cloud and clear-sky data are estimated to determine the possible effect of the diurnal variability of regional cloudiness on the interpretation of ERB measurements.

Giardia cyst destruction: effectiveness of six small-quantity water disinfection methods.

PubMed

Jarroll, E L; Bingham, A K; Meyer, E A

1980-01-01

None of the available chemical methods for disinfecting drinking water has ever been tested for its ability to destory Giardia cysts. We tested the ability of six such methods to act against Giardia, using excystation as the criterion of viability. Two water qualities (cloudy and clear) and two temperatures (3 and 20 degrees C) were tested. At 20 degrees C, using cloudy and clear water, all of the method proved completely effective. However, at 3 degrees C, in cloudy water one method ("saturated" iodine) was less than completely effective, and in clear water four methods (bleach, Globaline, tincture of iodine and "saturated" iodine) failed to destory all of the cysts. The failure of these methods appears to be related to either an insufficient halogen residual or contact time. This study underlines the importance of considering water temperature when employing halogen disinfection methods.

Invar alloys: information from the study of iron meteorites.

NASA Astrophysics Data System (ADS)

Goldstein, J. I.; Williams, D. B.; Zhang, J.; Clarke, R.

The iron meteorites were slow cooled (<108years) in their asteroidal bodies and are useful as indicators of the phase transformations which occur in Fe-Ni alloys. In the invar composition range, the iron meteorites contain a cloudy zone structure composed of an ordered tetrataenite phase and a surrounding honeycomb phase either of gamma or alpha phase. This structure is the result of a spinodal reaction below 350°C. The Santa Catharina iron meteorite has the typical invar composition of 36 wt% Ni and its structure is entirely cloudy zone although some of the honeycomb phase has been oxidized by terrestrial corrosion. Invar alloys would contain such a cloudy zone structure if more time was available for cooling. A higher temperature spinodal in the Fe-Ni phase diagram may be operative in invar alloys but has not been observed in the structure of the iron meteorites.

Effect of Radiative Cooling on Cloud-SST Relationship within the Tropical Pacific Region

NASA Technical Reports Server (NTRS)

Sui, Chung-Hsiung; Ho, Chang-Hoi; Chou, Ming-Dah; Lau, Ka-Ming; Li, Xiao-Fan; Einaudi, Franco (Technical Monitor)

2000-01-01

A recent analysis found a negative correlation between the area-mean cloud amount and the corresponding mean Sea Surface Temperature (SST) within the cloudy areas. The SST-cloud relation becomes more evident when the SST contrast between warm pool and surrounding cold pool (DSST) in the tropical Pacific is stronger than normal. The above feature is related to the finding that the strength of subsidence over the cold pool is limited by radiative cooling because of its small variability. As a result, the area of radiatively-driven subsidence must expand in response to enhanced low-boundary forcing due to SST warming or enhanced basin-scale DSST. This leads to more cloud free regions and less cloudy regions. The increased ratio of cloud-free areas to cloudy areas leads to more high SST areas (>29.50C) due to enhanced solar radiation.

North American west coast summer low cloudiness: Broadscale variability associated with sea surface temperature

NASA Astrophysics Data System (ADS)

Schwartz, Rachel E.; Gershunov, Alexander; Iacobellis, Sam F.; Cayan, Daniel R.

2014-05-01

Six decades of observations at 20 coastal airports, from Alaska to southern California, reveal coherent interannual to interdecadal variation of coastal low cloudiness (CLC) from summer to summer over this broad region. The leading mode of CLC variability represents coherent variation, accounting for nearly 40% of the total CLC variance spanning 1950-2012. This leading mode and the majority of individual airports exhibit decreased low cloudiness from the earlier to the later part of the record. Exploring climatic controls on CLC, we identify North Pacific Sea Surface Temperature anomalies, largely in the form of the Pacific Decadal Oscillation (PDO) as well correlated with, and evidently helping to organize, the coherent patterns of summer coastal cloud variability. Links from the PDO to summer CLC appear a few months in advance of the summer. These associations hold up consistently in interannual and interdecadal frequencies.

Cloudy Earth

NASA Image and Video Library

2015-05-08

Decades of satellite observations and astronaut photographs show that clouds dominate space-based views of Earth. One study based on nearly a decade of satellite data estimated that about 67 percent of Earth’s surface is typically covered by clouds. This is especially the case over the oceans, where other research shows less than 10 percent of the sky is completely clear of clouds at any one time. Over land, 30 percent of skies are completely cloud free. Earth’s cloudy nature is unmistakable in this global cloud fraction map, based on data collected by the Moderate Resolution Imaging Spectroradiometer (MODIS) on the Aqua satellite. While MODIS collects enough data to make a new global map of cloudiness every day, this version of the map shows an average of all of the satellite’s cloud observations between July 2002 and April 2015. Colors range from dark blue (no clouds) to light blue (some clouds) to white (frequent clouds).

The Impact of Amazonian Deforestation on Dry-Season Rainfall

NASA Technical Reports Server (NTRS)

Negri, Andrew J.; Adler, Robert F.; Xu, Li-Ming; Surratt, Jason; Starr, David OC. (Technical Monitor)

2002-01-01

Many modeling studies have concluded that widespread deforestation of Amazonia would lead to decreased rainfall. We analyze geosynchronous infrared satellite data with respect percent cloudiness, and analyze rain estimates from microwave sensors aboard the Tropical Rainfall Measuring Mission satellite. We conclude that in the dry-season, when the effects of the surface are not overwhelmed by synoptic-scale weather disturbances, deep convective cloudiness, as well as rainfall occurrence, all increase over the deforested and non-forested (savanna) regions. This is in response to a local circulation initiated by the differential heating of the region's varying forestation. Analysis of the diurnal cycle of cloudiness reveals a shift toward afternoon hours in the deforested and savanna regions, compared to the forested regions. Analysis of 14 years of data from the Special Sensor Microwave/Imager data revealed that only in August did rainfall amounts increase over the deforested region.

Fast Monte Carlo-assisted simulation of cloudy Earth backgrounds

NASA Astrophysics Data System (ADS)

Adler-Golden, Steven; Richtsmeier, Steven C.; Berk, Alexander; Duff, James W.

2012-11-01

A calculation method has been developed for rapidly synthesizing radiometrically accurate ultraviolet through longwavelengthinfrared spectral imagery of the Earth for arbitrary locations and cloud fields. The method combines cloudfree surface reflectance imagery with cloud radiance images calculated from a first-principles 3-D radiation transport model. The MCScene Monte Carlo code [1-4] is used to build a cloud image library; a data fusion method is incorporated to speed convergence. The surface and cloud images are combined with an upper atmospheric description with the aid of solar and thermal radiation transport equations that account for atmospheric inhomogeneity. The method enables a wide variety of sensor and sun locations, cloud fields, and surfaces to be combined on-the-fly, and provides hyperspectral wavelength resolution with minimal computational effort. The simulations agree very well with much more time-consuming direct Monte Carlo calculations of the same scene.

The galactic luminous supersoft X-ray source RXJ0925.7-4758 / MR Vel

NASA Astrophysics Data System (ADS)

Prodhani, Nandita; Baruah, Monmoyuri

2018-02-01

A steady-state model has been considered to explain the observed properties of the LSSS RXJ0925.7-4748 / MR Vel. The steady-state models consist of a C-O core surrounded by a hydrogen-rich envelope of the solar abundances. At the bottom of the envelope, hydrogen is burned at the same rate as the star accreted it. Using the most recent proton capturing reaction rates and β -decay rates, the cyclic reactions have been studied. In the present work, effort has been made to explain the observed characteristics of the source RXJ0925.7-4758 / MR Vel considering the above mentioned model. The calculated values of luminosity (8.56 × 10^{37} erg s^{-1}) and effective temperature (94.19 eV) tally well with the observed one. Photoionisation code CLOUDY has been used to explain the observed absorption edges in the spectrum of RXJ0925.7-4758 / MR Vel.

SPITZER IRAC COLOR DIAGNOSTICS FOR EXTENDED EMISSION IN STAR-FORMING REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ybarra, Jason E.; Tapia, Mauricio; Román-Zúñiga, Carlos G.

2014-10-20

The infrared data from the Spitzer Space Telescope are an invaluable tool for identifying physical processes in star formation. In this study, we calculate the Infrared Array Camera (IRAC) color space of UV fluorescent H{sub 2} and polycyclic aromatic hydrocarbon (PAH) emission in photodissociation regions (PDRs) using the Cloudy code with PAH opacities from Draine and Li. We create a set of color diagnostics that can be applied to study the structure of PDRs and to distinguish between FUV-excited and shock-excited H{sub 2} emission. To test this method, we apply these diagnostics to Spitzer IRAC data of NGC 2316. Our analysismore » of the structure of the PDR is consistent with previous studies of the region. In addition to UV excited emission, we identify shocked gas that may be part of an outflow originating from the cluster.« less

A synthetic data set of high-spectral-resolution infrared spectra for the Arctic atmosphere

NASA Astrophysics Data System (ADS)

Cox, Christopher J.; Rowe, Penny M.; Neshyba, Steven P.; Walden, Von P.

2016-05-01

Cloud microphysical and macrophysical properties are critical for understanding the role of clouds in climate. These properties are commonly retrieved from ground-based and satellite-based infrared remote sensing instruments. However, retrieval uncertainties are difficult to quantify without a standard for comparison. This is particularly true over the polar regions, where surface-based data for a cloud climatology are sparse, yet clouds represent a major source of uncertainty in weather and climate models. We describe a synthetic high-spectral-resolution infrared data set that is designed to facilitate validation and development of cloud retrieval algorithms for surface- and satellite-based remote sensing instruments. Since the data set is calculated using pre-defined cloudy atmospheres, the properties of the cloud and atmospheric state are known a priori. The atmospheric state used for the simulations is drawn from radiosonde measurements made at the North Slope of Alaska (NSA) Atmospheric Radiation Measurement (ARM) site at Barrow, Alaska (71.325° N, 156.615° W), a location that is generally representative of the western Arctic. The cloud properties for each simulation are selected from statistical distributions derived from past field measurements. Upwelling (at 60 km) and downwelling (at the surface) infrared spectra are simulated for 260 cloudy cases from 50 to 3000 cm-1 (3.3 to 200 µm) at monochromatic (line-by-line) resolution at a spacing of ˜ 0.01 cm-1 using the Line-by-line Radiative Transfer Model (LBLRTM) and the discrete-ordinate-method radiative transfer code (DISORT). These spectra are freely available for interested researchers from the NSF Arctic Data Center data repository (doi:10.5065/D61J97TT).

High excitation rovibrational molecular analysis in warm environments

NASA Astrophysics Data System (ADS)

Zhang, Ziwei; Stancil, Phillip C.; Cumbee, Renata; Ferland, Gary J.

2017-06-01

Inspired by advances in infrared observation (e.g., Spitzer, Herschel and ALMA), we investigate rovibrational emission CO and SiO in warm astrophysical environments. With recent innovation in collisional rate coefficients and rescaling methods, we are able to construct more comprehensive collisional data with high rovibrational states (vibration up to v=5 and rotation up to J=40) and multiple colliders (H2, H and He). These comprehensive data sets are used in spectral simulations with the radiative transfer codes RADEX and Cloudy. We obtained line ratio diagnostic plots and line spectra for both near- and far-infrared emission lines over a broad range of density and temperature for the case of a uniform medium. Considering the importance of both molecules in probing conditions and activities of UV-irradiated interstellar gas, we model rovibrational emission in photodissociation region (PDR) and AGB star envelopes (such as VY Canis Majoris, IK Tau and IRC +10216) with Cloudy. Rotational diagrams, energy distribution diagrams, and spectra are produced to examine relative state abundances, line emission intensity, and other properties. With these diverse models, we expect to have a better understanding of PDRs and expand our scope in the chemical architecture and evolution of AGB stars and other UV-irradiated regions. The soon to be launched James Webb Space Telescope (JWST) will provide high resolution observations at near- to mid-infrared wavelengths, which opens a new window to study molecular vibrational emission calling for more detailed chemical modeling and comprehensive laboratory astrophysics data on more molecules. This work was partially supported by NASA grants NNX12AF42G and NNX15AI61G. We thank Benhui Yang, Kyle Walker, Robert Forrey, and N. Balakrishnan for collaborating on the collisional data adopted in the current work.

One year of downwelling spectral radiance measurements from 100 to 1400 cm-1 at Dome Concordia: Results in clear conditions

NASA Astrophysics Data System (ADS)

Rizzi, R.; Arosio, C.; Maestri, T.; Palchetti, L.; Bianchini, G.; Del Guasta, M.

2016-09-01

The present work examines downwelling radiance spectra measured at the ground during 2013 by a Far Infrared Fourier Transform Spectrometer at Dome C, Antarctica. A tropospheric backscatter and depolarization lidar is also deployed at same site, and a radiosonde system is routinely operative. The measurements allow characterization of the water vapor and clouds infrared properties in Antarctica under all sky conditions. In this paper we specifically discuss cloud detection and the analysis in clear sky condition, required for the discussion of the results obtained in cloudy conditions. First, the paper discusses the procedures adopted for the quality control of spectra acquired automatically. Then it describes the classification procedure used to discriminate spectra measured in clear sky from cloudy conditions. Finally a selection is performed and 66 clear cases, spanning the whole year, are compared to simulations. The computation of layer molecular optical depth is performed with line-by-line techniques and a convolution to simulate the Radiation Explorer in the Far InfraRed-Prototype for Applications and Development (REFIR-PAD) measurements; the downwelling radiance for selected clear cases is computed with a state-of-the-art adding-doubling code. The mean difference over all selected cases between simulated and measured radiance is within experimental error for all the selected microwindows except for the negative residuals found for all microwindows in the range 200 to 400 cm-1, with largest values around 295.1 cm-1. The paper discusses possible reasons for the discrepancy and identifies the incorrect magnitude of the water vapor total absorption coefficient as the cause of such large negative radiance bias below 400 cm-1.

Impact of spatial resolution on cirrus infrared satellite retrievals in the presence of cloud heterogeneity

NASA Astrophysics Data System (ADS)

Fauchez, T.; Platnick, S. E.; Meyer, K.; Zhang, Z.; Cornet, C.; Szczap, F.; Dubuisson, P.

2015-12-01

Cirrus clouds are an important part of the Earth radiation budget but an accurate assessment of their role remains highly uncertain. Cirrus optical properties such as Cloud Optical Thickness (COT) and ice crystal effective particle size are often retrieved with a combination of Visible/Near InfraRed (VNIR) and ShortWave-InfraRed (SWIR) reflectance channels. Alternatively, Thermal InfraRed (TIR) techniques, such as the Split Window Technique (SWT), have demonstrated better accuracy for thin cirrus effective radius retrievals with small effective radii. However, current global operational algorithms for both retrieval methods assume that cloudy pixels are horizontally homogeneous (Plane Parallel Approximation (PPA)) and independent (Independent Pixel Approximation (IPA)). The impact of these approximations on ice cloud retrievals needs to be understood and, as far as possible, corrected. Horizontal heterogeneity effects in the TIR spectrum are mainly dominated by the PPA bias that primarily depends on the COT subpixel heterogeneity; for solar reflectance channels, in addition to the PPA bias, the IPA can lead to significant retrieval errors due to a significant photon horizontal transport between cloudy columns, as well as brightening and shadowing effects that are more difficult to quantify. Furthermore TIR retrievals techniques have demonstrated better retrieval accuracy for thin cirrus having small effective radii over solar reflectance techniques. The TIR range is thus particularly relevant in order to characterize, as accurately as possible, thin cirrus clouds. Heterogeneity effects in the TIR are evaluated as a function of spatial resolution in order to estimate the optimal spatial resolution for TIR retrieval applications. These investigations are performed using a cirrus 3D cloud generator (3DCloud), a 3D radiative transfer code (3DMCPOL), and two retrieval algorithms, namely the operational MODIS retrieval algorithm (MOD06) and a research-level SWT algorithm.

Absolute photoionization cross sections of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Pareek, P. N.

1982-01-01

The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

Fluoresence cross section of the H2O(+) A 2A1(0,7,0) produced through photoionization of H2O

NASA Technical Reports Server (NTRS)

Wu, C. Y. Robert; Hwang, M. Y.

1988-01-01

The cross section for the production of the H2O(+) A 2A1(0,7,0) - X 2B1(0,0,0) fluorescence through photoionization of H2O was measured in the 14.5-20.5 eV region. The maximum quantum yield is 1.4 x 10 to the -3rd at 16.5 eV.

Absolute photoionization cross sections of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Pareek, P. N.

1985-01-01

The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

FAST TRACK COMMUNICATION: Confinement resonances in the photoionization of endohedral atoms: myth or reality?

NASA Astrophysics Data System (ADS)

Korol, A. V.; Solov'yov, A. V.

2010-10-01

We demonstrate that the structure of confinement resonances in the photoionization cross section of an endohedral atom is very sensitive to the mean displacement langarang of the atom from the cage centre. The resonances are strongly suppressed if 2langarang exceeds the photoelectron half-wavelength. We explain the results of recent experiments which contradict the earlier theoretical predictions on the existence of confinement resonances in particular endohedral systems.

Double photoionization of propylene oxide: A coincidence study of the ejection of a pair of valence-shell electrons

NASA Astrophysics Data System (ADS)

Falcinelli, Stefano; Vecchiocattivi, Franco; Alagia, Michele; Schio, Luca; Richter, Robert; Stranges, Stefano; Catone, Daniele; Arruda, Manuela S.; Mendes, Luiz A. V.; Palazzetti, Federico; Aquilanti, Vincenzo; Pirani, Fernando

2018-03-01

Propylene oxide, a favorite target of experimental and theoretical studies of circular dichroism, was recently discovered in interstellar space, further amplifying the attention to its role in the current debate on protobiological homochirality. In the present work, a photoelectron-photoion-photoion coincidence technique, using an ion-imaging detector and tunable synchrotron radiation in the 18.0-37.0 eV energy range, permits us (i) to observe six double ionization fragmentation channels, their relative yields being accounted for about two-thirds by the couple (C2H4+, CH2O+) and one-fifth by (C2H3+, CH3O+); (ii) to measure thresholds for their openings as a function of photon energy; and (iii) to unravel a pronounced bimodality for a kinetic-energy-released distribution, fingerprint of competitive non-adiabatic mechanisms.

Photoionization of atomic barium subshells in the 4 d threshold region using the relativistic multiconfiguration Tamm-Dancoff approximation

NASA Astrophysics Data System (ADS)

Ganesan, Aarthi; Deshmukh, P. C.; Manson, S. T.

2017-03-01

Photoionization cross sections and photoelectron angular distribution asymmetry parameters are calculated for the 4 d10, 5 s2, 5 p6 , and 6 s2 subshells of atomic barium as a test of the relativistic multiconfiguration Tamm-Dancoff (RMCTD) method. The shape resonance present in the near-threshold region of the 4 d subshell is studied in detail in the 4 d photoionization along with the 5 s , 5 p , and 6 s subshells in the region of the 4 d thresholds, as the 4 d shape resonance strongly influences these subshells in its vicinity. The results are compared with available experiment and other many-body theoretical results in an effort to assess the capabilities of the RMCTD methodology. The electron correlations addressed in the RMCTD method give relatively good agreement with the experimental data, indicating that the important many-body correlations are included correctly.

Wigner time delay in photodetachment of Tm-and in photoionization of Yb: A comparative study

NASA Astrophysics Data System (ADS)

Saha, Soumyajit; Jose, Jobin; Deshmukh, Pranawa; Dolmatov, Valeriy; Kheifets, Anatoli; Manson, Steven

2017-04-01

Preliminary studies of Wigner time delay in photodetachment spectra of negative ions have been reported. Photodetachment time delay for some dipole channels of Tm- and of Cl- were calculated using relativistic random phase approximation (RRPA). Comparisons between photodetachment time delay of Cl- and photoionization time delay of Ar were made. We investigate the photodetachment time delay for all three relativistically split nd -> ɛ f channels of Tm- and for nd -> ɛ f channels of Yb (isoelectronic to Tm-) using RRPA. We study the effect of the shape resonance, brought about by the centrifugal barrier potential, on photodetachment time delay. A negative ion is a good laboratory for studying the effects of shape resonances on time delay since the phase is unaffected by the Coulomb component. Wigner time delay in photodetachment of Tm- and in photoionization of Yb: A comparative study.

Partial photoionization cross sections of NH4 and H3O Rydberg radicals

NASA Astrophysics Data System (ADS)

Velasco, A. M.; Lavín, C.; Martín, I.; Melin, J.; Ortiz, J. V.

2009-07-01

Photoionization cross sections for various Rydberg series that correspond to ionization channels of ammonium and oxonium Rydberg radicals from the outermost, occupied orbitals of their respective ground states are reported. These properties are known to be relevant in photoelectron dynamics studies. For the present calculations, the molecular-adapted quantum defect orbital method has been employed. A Cooper minimum has been found in the 3sa1-kpt2 Rydberg channel of NH4 beyond the ionization threshold, which provides the main contribution to the photoionization of this radical. However, no net minimum is found in the partial cross section of H3O despite the presence of minima in the 3sa1-kpe and 3sa1-kpa1 Rydberg channels. The complete oscillator strength distributions spanning the discrete and continuous regions of both radicals exhibit the expected continuity across the ionization threshold.

Correlation of molecular valence- and K-shell photoionization resonances with bond lengths

NASA Technical Reports Server (NTRS)

Sheehy, J. A.; Gil, T. J.; Winstead, C. L.; Farren, R. E.; Langhoff, P. W.

1989-01-01

The relationship between the interatomic distance and the positions of valence-shell and K-shell sigma(asterisk) photoionization resonances is investigated theoretically for the molecules C2, F2, N2, O2, CO, NO, C2H2, C2H4, C2H6, HCN, H2CO, N20, CO2, and C2N2. The results of molecular-orbital computations are presented in three-dimensional diagrams, which are shown to be similar to the wave functions of a particle in a cylindrical well, confirming the validity of free-electron molecular-orbital (FEMO) approximations for modeling the potential along the symmetry axis. FEMO orbital energies and resonance positions are found to be in good agreement with previous theoretical and experimental results. Also included is a Feshbach-Fano analysis of the relevance of virtual-valence orbitals to the appearance of single-channel resonances in molecular photoionization cross sections.

Attosecond-resolved photoionization of chiral molecules.

PubMed

Beaulieu, S; Comby, A; Clergerie, A; Caillat, J; Descamps, D; Dudovich, N; Fabre, B; Géneaux, R; Légaré, F; Petit, S; Pons, B; Porat, G; Ruchon, T; Taïeb, R; Blanchet, V; Mairesse, Y

2017-12-08

Chiral light-matter interactions have been investigated for two centuries, leading to the discovery of many chiroptical processes used for discrimination of enantiomers. Whereas most chiroptical effects result from a response of bound electrons, photoionization can produce much stronger chiral signals that manifest as asymmetries in the angular distribution of the photoelectrons along the light-propagation axis. We implemented self-referenced attosecond photoelectron interferometry to measure the temporal profile of the forward and backward electron wave packets emitted upon photoionization of camphor by circularly polarized laser pulses. We measured a delay between electrons ejected forward and backward, which depends on the ejection angle and reaches 24 attoseconds. The asymmetric temporal shape of electron wave packets emitted through an autoionizing state further reveals the chiral character of strongly correlated electronic dynamics. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

A non-invasive online photoionization spectrometer for FLASH2.

PubMed

Braune, Markus; Brenner, Günter; Dziarzhytski, Siarhei; Juranić, Pavle; Sorokin, Andrey; Tiedtke, Kai

2016-01-01

The stochastic nature of the self-amplified spontaneous emission (SASE) process of free-electron lasers (FELs) effects pulse-to-pulse fluctuations of the radiation properties, such as the photon energy, which are determinative for processes of photon-matter interactions. Hence, SASE FEL sources pose a great challenge for scientific investigations, since experimenters need to obtain precise real-time feedback of these properties for each individual photon bunch for interpretation of the experimental data. Furthermore, any device developed to deliver the according information should not significantly interfere with or degrade the FEL beam. Regarding the spectral properties, a device for online monitoring of FEL wavelengths has been developed for FLASH2, which is based on photoionization of gaseous targets and the measurements of the corresponding electron and ion time-of-flight spectra. This paper presents experimental studies and cross-calibration measurements demonstrating the viability of this online photoionization spectrometer.

Direct Analysis of Organic Compounds in Liquid Using a Miniature Photoionization Ion Trap Mass Spectrometer with Pulsed Carrier-Gas Capillary Inlet.

PubMed

Lu, Xinqiong; Yu, Quan; Zhang, Qian; Ni, Kai; Qian, Xiang; Tang, Fei; Wang, Xiaohao

2017-08-01

A miniature ion trap mass spectrometer with capillary direct sampling and vacuum ultraviolet photoionization source was developed to conduct trace analysis of organic compounds in liquids. Self-aspiration sampling is available where the samples are drawn into the vacuum chamber through a capillary with an extremely low flow rate (less than 1 μL/min), which minimizes sample consumption in each analysis to tens of micrograms. A pulsed gas-assisted inlet was designed and optimized to promote sample transmission in the tube and facilitate the cooling of ions, thereby improving instrument sensitivity. A limit of detection of 2 ppb could be achieved for 2,4-dimethylaniline in a methanol solution. The sampling system described in the present study is specifically suitable for a miniature photoionization ion trap mass spectrometer that can perform rapid and online analysis for liquid samples. Graphical Abstract ᅟ.

Direct observation of Young’s double-slit interferences in vibrationally resolved photoionization of diatomic molecules

PubMed Central

Canton, Sophie E.; Plésiat, Etienne; Bozek, John D.; Rude, Bruce S.; Decleva, Piero; Martín, Fernando

2011-01-01

Vibrationally resolved valence-shell photoionization spectra of H2, N2 and CO have been measured in the photon energy range 20–300 eV using third-generation synchrotron radiation. Young’s double-slit interferences lead to oscillations in the corresponding vibrational ratios, showing that the molecules behave as two-center electron-wave emitters and that the associated interferences leave their trace in the angle-integrated photoionization cross section. In contrast to previous work, the oscillations are directly observable in the experiment, thereby removing any possible ambiguity related to the introduction of external parameters or fitting functions. A straightforward extension of an original idea proposed by Cohen and Fano [Cohen HD, Fano U (1966) Phys Rev 150:30] confirms this interpretation and shows that it is also valid for diatomic heteronuclear molecules. Results of accurate theoretical calculations are in excellent agreement with the experimental findings.

Photoionization of environmentally polluting aromatic chlorides and nitrides on the water surface by laser and synchrotron radiations.

PubMed

Sato, Miki; Maeda, Yuki; Ishioka, Toshio; Harata, Akira

2017-11-20

The detection limits and photoionization thresholds of polycyclic aromatic hydrocarbons and their chlorides and nitrides on the water surface are examined using laser two-photon ionization and single-photon ionization, respectively. The laser two-photon ionization methods are highly surface-selective, with a high sensitivity for aromatic hydrocarbons tending to accumulate on the water surface in the natural environment due to their highly hydrophobic nature. The dependence of the detection limits of target aromatic molecules on their physicochemical properties (photoionization thresholds relating to excess energy, molar absorptivity, and the octanol-water partition coefficient) is discussed. The detection limit clearly depends on the product of the octanol-water partition coefficient and molar absorptivity, and no clear dependence was found on excess energy. The detection limits of laser two-photon ionization for these types of molecules on the water surface are formulated.

A non-invasive online photoionization spectrometer for FLASH2

PubMed Central

Braune, Markus; Brenner, Günter; Dziarzhytski, Siarhei; Juranić, Pavle; Sorokin, Andrey; Tiedtke, Kai

2016-01-01

The stochastic nature of the self-amplified spontaneous emission (SASE) process of free-electron lasers (FELs) effects pulse-to-pulse fluctuations of the radiation properties, such as the photon energy, which are determinative for processes of photon–matter interactions. Hence, SASE FEL sources pose a great challenge for scientific investigations, since experimenters need to obtain precise real-time feedback of these properties for each individual photon bunch for interpretation of the experimental data. Furthermore, any device developed to deliver the according information should not significantly interfere with or degrade the FEL beam. Regarding the spectral properties, a device for online monitoring of FEL wavelengths has been developed for FLASH2, which is based on photoionization of gaseous targets and the measurements of the corresponding electron and ion time-of-flight spectra. This paper presents experimental studies and cross-calibration measurements demonstrating the viability of this online photoionization spectrometer. PMID:26698040

Binding energy and photoionization cross-section of hydrogen-like donor impurity in strongly oblate ellipsoidal quantum dot

NASA Astrophysics Data System (ADS)

Hayrapetyan, D. B.; Ohanyan, G. L.; Baghdasaryan, D. A.; Sarkisyan, H. A.; Baskoutas, S.; Kazaryan, E. M.

2018-01-01

Hydrogen-like donor impurity states in strongly oblate ellipsoidal quantum dot have been studied. The hydrogen-like donor impurity states are investigated within the framework of variational method. The trial wave function constructed on the base of wave functions of the system without impurity. The dependence of the energy and binding energy for the ground and first excited states on the geometrical parameters of the ellipsoidal quantum dot and on the impurity position have been calculated. The behavior of the oscillator strength for different angles of incident light and geometrical parameters have been revealed. Photoionization cross-section of the electron transitions from the impurity ground state to the size-quantized ground and first excited states have been studied. The effects of impurity position and the geometrical parameters of the ellipsoidal quantum dot on the photoionization cross section dependence on the photon energy have been considered.

Direct Analysis of Organic Compounds in Liquid Using a Miniature Photoionization Ion Trap Mass Spectrometer with Pulsed Carrier-Gas Capillary Inlet

NASA Astrophysics Data System (ADS)

Lu, Xinqiong; Yu, Quan; Zhang, Qian; Ni, Kai; Qian, Xiang; Tang, Fei; Wang, Xiaohao

2017-08-01

A miniature ion trap mass spectrometer with capillary direct sampling and vacuum ultraviolet photoionization source was developed to conduct trace analysis of organic compounds in liquids. Self-aspiration sampling is available where the samples are drawn into the vacuum chamber through a capillary with an extremely low flow rate (less than 1 μL/min), which minimizes sample consumption in each analysis to tens of micrograms. A pulsed gas-assisted inlet was designed and optimized to promote sample transmission in the tube and facilitate the cooling of ions, thereby improving instrument sensitivity. A limit of detection of 2 ppb could be achieved for 2,4-dimethylaniline in a methanol solution. The sampling system described in the present study is specifically suitable for a miniature photoionization ion trap mass spectrometer that can perform rapid and online analysis for liquid samples.

VUV Dissociative Photoionization of Quinoline in the 7-26 eV Photon Energy Range

NASA Astrophysics Data System (ADS)

Leach, Sydney; Jochims, Hans-Werner; Baumgärtel, Helmut; Champion, Norbert

2018-05-01

The dissociative photoionization of quinoline was studied by photoionization mass spectrometry and ion yield measurements over a synchrotron photon excitation energy range 7-26 eV. The ionic and neutral products were identified with the aid of thermochemical calculations that, in some cases, led to deeper understanding of photodissociation pathways and the determination of upper limits of heats of formation of ionic and neutral dissociation products. A detailed comparison between the 20 eV photon excitation and 70 eV electron impact mass spectra, coupled with estimation of thermochemical appearance energies, leads to assignment of the dissociative ionization cation and neutral products for each detected ion. Reaction schemes for formation of these products are proposed in a number of cases. Ion intensities in the photon and electron impact mass spectra were used to consider extending a rule of charge retention in simple bond cleavage to more complex cases of dissociative ionization.

Desorption atmospheric pressure photoionization.

PubMed

Haapala, Markus; Pól, Jaroslav; Saarela, Ville; Arvola, Ville; Kotiaho, Tapio; Ketola, Raimo A; Franssila, Sami; Kauppila, Tiina J; Kostiainen, Risto

2007-10-15

An ambient ionization technique for mass spectrometry, desorption atmospheric pressure photoionization (DAPPI), is presented, and its application to the rapid analysis of compounds of various polarities on surfaces is demonstrated. The DAPPI technique relies on a heated nebulizer microchip delivering a heated jet of vaporized solvent, e.g., toluene, and a photoionization lamp emitting 10-eV photons. The solvent jet is directed toward sample spots on a surface, causing the desorption of analytes from the surface. The photons emitted by the lamp ionize the analytes, which are then directed into the mass spectrometer. The limits of detection obtained with DAPPI were in the range of 56-670 fmol. Also, the direct analysis of pharmaceuticals from a tablet surface was successfully demonstrated. A comparison of the performance of DAPPI with that of the popular desorption electrospray ionization method was done with four standard compounds. DAPPI was shown to be equally or more sensitive especially in the case of less polar analytes.

Time-dependent Cooling in Photoionized Plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gnat, Orly, E-mail: orlyg@phys.huji.ac.il

I explore the thermal evolution and ionization states in gas cooling from an initially hot state in the presence of external photoionizing radiation. I compute the equilibrium and nonequilibrium cooling efficiencies, heating rates, and ion fractions for low-density gas cooling while exposed to the ionizing metagalactic background radiation at various redshifts ( z = 0 − 3), for a range of temperatures (10{sup 8}–10{sup 4} K), densities (10{sup −7}–10{sup 3} cm{sup −3}), and metallicities (10{sup −3}–2 times solar). The results indicate the existence of a threshold ionization parameter, above which the cooling efficiencies are very close to those in photoionization equilibriummore » (so that departures from equilibrium may be neglected), and below which the cooling efficiencies resemble those in collisional time-dependent gas cooling with no external radiation (and are thus independent of density).« less

Ab Initio Calculation of Photoionization and Inelastic Photon Scattering Spectra of He below the N=2 Threshold in a dc Electric Field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mihelic, Andrej; Zitnik, Matjaz

2007-06-15

We study the Stark effect on doubly excited states of the helium atom below N=2. We present the ab initio photoionization and total inelastic photon scattering cross sections calculated with the method of complex scaling for field strengths F{<=}100 kV/cm. The calculations are compared to the measurements of the ion [Phys. Rev. Lett. 90, 133002 (2003)] and vacuum ultraviolet fluorescence yields [Phys. Rev. Lett. 96, 093001 (2006)]. For the case of photoionization and for incident photons with polarization vector P parallel to the electric field F, we confirm the propensity rule proposed by Tong and Lin [Phys. Rev. Lett. 92,more » 223003 (2004)]. Furthermore, the rule is also shown to apply for F perpendicular P and for the case of the inelastic scattering in both experimental geometries.« less

An alternative mechanism for spin-forbidden photo-ionization of diatomic molecules and its rotation-electronic selection rules

NASA Astrophysics Data System (ADS)

Chiu, Ying-Nan; Chiu, Lue-Yung Chow

1990-02-01

The spin-forbidden photo-ionization of diatomic molecules is proposed. Spin orbit interaction is invoked, resulting in the correction and mixing of the wave functions of different multiplicities. The rotation-electronic selection rules given by Dixit and McKoy (1986) for Hund's case a based on the conventional mechanism of electric dipole transition are rederived and expressed in a different format. This new format permits the generalization of the selection rules to other photoionization transitions caused by the magnetic dipole, the electric quadrupole, and the two- and three-photon operators. These selection rules, which are for transitions from one specific rotational level of a given Kronig reflection symmetry to another, will help understand rotational branching and the dynamics of interaction in the excited state. They will also help in the selective preparation of well-defined rovibronic states in resonant-enhanced multi-photon ionization processes.

Control of nitromethane photoionization efficiency with shaped femtosecond pulses.

PubMed

Roslund, Jonathan; Shir, Ofer M; Dogariu, Arthur; Miles, Richard; Rabitz, Herschel

2011-04-21

The applicability of adaptive femtosecond pulse shaping is studied for achieving selectivity in the photoionization of low-density polyatomic targets. In particular, optimal dynamic discrimination (ODD) techniques exploit intermediate molecular electronic resonances that allow a significant increase in the photoionization efficiency of nitromethane with shaped near-infrared femtosecond pulses. The intensity bias typical of high-photon number, nonresonant ionization is accounted for by reference to a strictly intensity-dependent process. Closed-loop adaptive learning is then able to discover a pulse form that increases the ionization efficiency of nitromethane by ∼150%. The optimally induced molecular dynamics result from entry into a region of parameter space inaccessible with intensity-only control. Finally, the discovered pulse shape is demonstrated to interact with the molecular system in a coherent fashion as assessed from the asymmetry between the response to the optimal field and its time-reversed counterpart.

Semiclassical description of photoionization microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bordas, Ch.; Lepine, F.; Nicole, C.

2003-07-01

Recently, experiments have been reported where a geometrical interference pattern was observed when photoelectrons ejected in the threshold photoionization of xenon were detected in a velocity-map imaging apparatus [C. Nicole et al., Phys. Rev. Lett. 88, 133001 (2002)]. This technique, called photoionization microscopy, relies on the existence of interferences between various trajectories by which the electron moves from the atom to the plane of observation. Unlike previous predictions relevant to the hydrogenic case, the structure of the interference pattern evolves smoothly with the excess energy above the saddle point and is only weakly affected by the presence of continuum Starkmore » resonances. In this paper, we describe a semiclassical analysis of this process and present numerical simulations in excellent agreement with the experimental results. It is shown that the background contribution dominates in the observations, as opposed to the behavior expected for hydrogenic systems where the interference pattern is qualitatively different on quasidiscrete Stark resonances.« less

Balloon-borne photoionization mass spectrometer for measurement of stratospheric gases

NASA Technical Reports Server (NTRS)

Aikin, A. C.; Maier, E. J. R.

1978-01-01

A balloon-borne photoionization mass spectrometer used to measure stratospheric trace gases is described. Ions are created with photons from high-intensity krypton discharge lamps and a quadrupole mass analyzer is employed for ion identification. Differential pumping is achieved with liquid helium cryopumping. To insure measurement of unperturbed stratospheric air, the entire system is contained in a sealed gondola and the atmospheric sample is taken some distance away during descent. The photoionization technique allows the detection of a low ionization potential constituent, such as nitric oxide, at less than a part in one billion in the presence of the major atmospheric gases and their isotopes. Operation of the mass spectrometer system was demonstrated during a daytime flight from Palestine, Texas on 26 April 1977. The sensitivity achieved and the unique selectivity afforded by this technique offer a capability for trace constituent measurement not possible with the more conventional electron impact ionization approach.

The Iron Project & Opacity Project: Photoionization, radiative transitions of iron ions for Opacities and Astrophysical Applications

NASA Astrophysics Data System (ADS)

Zhao, Lianshui; Nahar, Sultana; Pradhan, Anil; Eissner, Werner

2017-04-01

We have carried out converged close coupling R-Matrix (CCC-RM) calculations for photoionization of Ne-like Fe XVII and demonstrate orders-of-magnitude enhancements in cross section due to successive core excitations. Convergence criteria are: (i) inclusion of sufficient number of residual ion Fe XVIII core states, (ii) high-resolution of myriad autoionizing resonances, and (iii) high-energy cross sections. We discuss verification of the conventional oscillator strength sum-rule in limited energy regions for bound-free plasma opacity. High energy cross sections are also under investigation. In order to obtain solar iron opacity at the boundary of the radiative and convection zones, we have studied the residual ion states that should provide convergence of resonances of other L-shell iron ions, Fe XIV - Fe XX, in the plasma region. Preliminary results from R-matrix calculations of photoionization cross sections will be reported. NSF, DOE, OSC.

A novel method to improve MODIS AOD retrievals in cloudy pixels using an analog ensemble approach

NASA Astrophysics Data System (ADS)

Kumar, R.; Raman, A.; Delle Monache, L.; Alessandrini, S.; Cheng, W. Y. Y.; Gaubert, B.; Arellano, A. F.

2016-12-01

Particulate matter (PM) concentrations are one of the fundamental indicators of air quality. Earth orbiting satellite platforms acquire column aerosol abundance that can in turn provide information about the PM concentrations. One of the serious limitations of column aerosol retrievals from low earth orbiting satellites is that these algorithms are based on clear sky assumptions. They do not retrieve AOD in cloudy pixels. After filtering cloudy pixels, these algorithms also arbitrarily remove brightest and darkest 25% of remaining pixels over ocean and brightest and darkest 50% pixels over land to filter any residual contamination from clouds. This becomes a critical issue especially in regions that experience monsoon, like Asia and North America. In case of North America, monsoon season experiences wide variety of extreme air quality events such as fires in California and dust storms in Arizona. Assessment of these episodic events warrants frequent monitoring of aerosol observations from remote sensing retrievals. In this study, we demonstrate a method to fill in cloudy pixels in Moderate Imaging Resolution Spectroradiometer (MODIS) AOD retrievals based on ensembles generated using an analog-based approach (AnEn). It provides a probabilistic distribution of AOD in cloudy pixels using historical records of model simulations of meteorological predictors such as AOD, relative humidity, and wind speed, and past observational records of MODIS AOD at a given target site. We use simulations from a coupled community weather forecasting model with chemistry (WRF-Chem) run at a resolution comparable to MODIS AOD. Analogs selected from summer months (June, July) of 2011-2013 from model and corresponding observations are used as a training dataset. Then, missing AOD retrievals in cloudy pixels in the last 31 days of the selected period are estimated. Here, we use AERONET stations as target sites to facilitate comparison against in-situ measurements. We use two approaches to evaluate the estimated AOD: 1) by comparing against reanalysis AOD, 2) by inverting AOD to PM10 concentrations and then comparing those with measured PM10. AnEn is an efficient approach to generate an ensemble as it involves only one model run and provides an estimate of uncertainty that complies with the physical and chemical state of the atmosphere.

The Nature of Ultraluminous Galaxies: Infrared Space Observatory Analysis and Instrument Team

NASA Technical Reports Server (NTRS)

Satyapal, Shobita

2001-01-01

The scientific goal of the proposed research was to investigate the physical conditions in the nuclear regions of infrared luminous galaxies by carrying out detailed infrared spectroscopic observations of a large sample of infrared luminous galaxies. During the past year, these observations have been successfully analyzed and extensive modeling using photoionization and photodissociation codes has been carried out. Two first-author publications and a second-author publication have been submitted to the Astrophysical Journal and results were presented at two invited talks. Four additional journal papers are in preparation and will be submitted during year 2 of the grant. The secondary project included in this program was the development of a near-infrared cryogenic Fabry-Perot interferometer for use on future large aperture telescopes. System integration and room temperature testing was successfully carried out for this project during year 1.

Photoionisation modelling of Nova LMC 1990 #1

NASA Technical Reports Server (NTRS)

Dopita, M. A.; Meatheringham, S. J.; Sutherland, R.; Williams, R. E.; Starrfield, S.; Sonneborn, G.; Shore, S.

1992-01-01

Nova LMC 1990A was a very fast Ne-O-Mg nova, for which a particularly dense coverage of spectral observation in both the UV and optical was obtained. The data for the nebular phase were subjected to an analysis by the photoionization modeling code MAPPINGS 2. The following parameters were obtained: L(sub max) = 8 x 10(exp 4) solar luminosity, T(sub eff) = 2 x 10(exp 5) K and the mass of ejecta = 5/5 x 10(exp -5) solar mass. The abundnace ratios in the ejecta were similar to those obtained by Williams et al. (1985) in the case of V693 CrA 1981. The N/O ratio and the overabundance of Al is consistent with ourburst on a ONeMg white dwarf of mass approximately equal to 1.2 solar mass, but the super-Eddington luminosity, and amount of mass ejected presents some problems to theory.

BOND: A quantum of solace for nebular abundance determinations

NASA Astrophysics Data System (ADS)

Vale Asari, N.; Stasińska, G.; Morisset, C.; Cid Fernandes, R.

2017-11-01

The abundances of chemical elements other than hydrogen and helium in a galaxy are the fossil record of its star formation history. Empirical relations such as mass-metallicity relation are thus seen as guides for studies on the history and chemical evolution of galaxies. Those relations usually rely on nebular metallicities measured with strong-line methods, which assume that H II regions are a one- (or at most two-) parameter family where the oxygen abundance is the driving quantity. Nature is however much more complex than that, and metallicities from strong lines may be strongly biased. We have developed the method BOND (Bayesian Oxygen and Nitrogen abundance Determinations) to simultaneously derive oxygen and nitrogen abundances in giant H II regions by comparing strong and semi-strong observed emission lines to a carefully-defined, finely-meshed grid of photoionization models. Our code and results are public and available at http://bond.ufsc.br.

PHOTOIONIZATION MODELS OF THE INNER GASEOUS DISK OF THE HERBIG BE STAR BD+65 1637

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, P.; Sigut, T. A. A.; Landstreet, J. D., E-mail: ppatel54@uwo.ca

2016-01-20

We attempt to constrain the physical properties of the inner, gaseous disk of the Herbig Be star BD+65 1637 using non-LTE, circumstellar disk codes and observed spectra (3700–10500 Å) from the ESPaDOnS instrument on the Canada–France–Hawaii Telescope. The photoionizing radiation of the central star is assumed to be the sole source of input energy for the disk. We model optical and near-infrared emission lines that are thought to form in this region using standard techniques that have been successful in modeling the spectra of classical Be stars. By comparing synthetic line profiles of hydrogen, helium, iron, and calcium with themore » observed line profiles, we try to constrain the geometry, density structure, and kinematics of the gaseous disk. Reasonable matches have been found for all line profiles individually; however, no disk density model based on a single power law for the equatorial density was able to simultaneously fit all of the observed emission lines. Among the emission lines, the metal lines, especially the Ca ii IR triplet, seem to require higher disk densities than the other lines. Excluding the Ca ii lines, a model in which the equatorial disk density falls as 10{sup −10} (R{sub *}/R){sup 3} g cm{sup −3} seen at an inclination of 45° for a 50 R{sub *} disk provides reasonable matches to the overall line shapes and strengths. The Ca ii lines seem to require a shallower drop-off as 10{sup −10} (R{sub *}/R){sup 2} g cm{sup −3} to match their strength. More complex disk density models are likely required to refine the match to the BD+65 1637 spectrum.« less

Interaction of intense laser pulses with gas for two-color THz generation and remote magnetometry

NASA Astrophysics Data System (ADS)

Johnson, Luke A.

The interaction of intense laser pulses with atmospheric gases is studied in two contexts: (i) the generation of broadband terahertz radiation via two-color photoionization currents in nitrogen, and (ii) the generation of an electromagnetic wakefield by the induced magnetization currents of oxygen. (i) A laser pulse propagation simulation code was developed to investigate the radiation patterns from two-color THz generation in nitrogen. Understanding the mechanism for conical, two-color THz furthers the development of broadband THz sources. Two-color photoionization produces a cycle-averaged current driving broadband, conically emitted THz radiation. The THz emission angle is found to be determined by an optical Cherenkov effect, occurring when the front velocity of the ionization induced current source is greater than the THz phase velocity. (ii) A laser pulse propagating in the atmosphere is capable of exciting a magnetic dipole transition in molecular oxygen. The resulting transient current creates a co-propagating electromagnetic field behind the laser pulse, i.e. the wakefield, which has a rotated polarization that depends on the background magnetic field. This effect is analyzed to determine it's suitability for remote atmospheric magnetometry for the detection of underwater and underground objects. In the proposed approach, Kerr self-focusing is used to bring a polarized, high-intensity, laser pulse to focus at a remote detection site where the laser pulse induces a ringing in the oxygen magnetization. The detection signature for underwater and underground objects is the change in the wakefield polarization between different measurement locations. The magnetic dipole transition line that is considered is the b-X transition band of oxygen near 762 nm.

Photoionization Models of the Inner Gaseous Disk of the Herbig Be Star BD+65 1637

NASA Astrophysics Data System (ADS)

Patel, P.; Sigut, T. A. A.; Landstreet, J. D.

2016-01-01

We attempt to constrain the physical properties of the inner, gaseous disk of the Herbig Be star BD+65 1637 using non-LTE, circumstellar disk codes and observed spectra (3700-10500 Å) from the ESPaDOnS instrument on the Canada-France-Hawaii Telescope. The photoionizing radiation of the central star is assumed to be the sole source of input energy for the disk. We model optical and near-infrared emission lines that are thought to form in this region using standard techniques that have been successful in modeling the spectra of classical Be stars. By comparing synthetic line profiles of hydrogen, helium, iron, and calcium with the observed line profiles, we try to constrain the geometry, density structure, and kinematics of the gaseous disk. Reasonable matches have been found for all line profiles individually; however, no disk density model based on a single power law for the equatorial density was able to simultaneously fit all of the observed emission lines. Among the emission lines, the metal lines, especially the Ca II IR triplet, seem to require higher disk densities than the other lines. Excluding the Ca II lines, a model in which the equatorial disk density falls as 10-10 (R*/R)3 g cm-3 seen at an inclination of 45° for a 50 R* disk provides reasonable matches to the overall line shapes and strengths. The Ca II lines seem to require a shallower drop-off as 10-10 (R*/R)2 g cm-3 to match their strength. More complex disk density models are likely required to refine the match to the BD+65 1637 spectrum.

Final Report for Department of Energy Project DE-SC0012198

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lucchese, Robert; Poliakoff, Erwin; Trallero-Herrero, Carlos

The study of the motion of atoms in molecules is important to understanding many areas of physical and life sciences. Such motion occurs on many different times scales, with electronic motion occurring on a sub-femtosecond time scale, and simple vibrational motion in tens to hundreds of femtoseconds. One way to follow such processes in real time is by the use of short-pulsed lasers, and in particular by studying time-resolved photoionization and the related process of high-harmonic generation (HHG). Thus there has been much effort to develop the tools necessary to probe molecular systems using short pulse lasers and understanding themore » sensitivity of the different possible probes to the time dependent geometric structure as well as the electronic structure of molecules. Our research has particularly focused on the connection between high-field processes and the more traditional weak field photoionization processes. Strong field and weak field processes can be connected through models that involve the same matrix elements. We have demonstrated in our study of HHG from SF6 that the spectrum is sensitive to the interplay between the angular dependence of the ionization step and recombination step. In our study of rescattering spectroscopy, we have shown that with a combination of experiment and theory, we can use this high-field spectroscopy to determine molecular structure in molecules such as C2H4. We have also developed new computational tools based on overset grids to enable studies on larger molecular systems which use much more robust numerical approaches so that the resulting code can be a tool that non-specialists can use to study related systems.« less

Western Pacific Basin: A Climatological Study

DTIC Science & Technology

2003-08-29

most precipitation, while the lee sides of the mountains experience much less cloudiness and rainfall. In some valleys sheltered from the monsoon...One station, Ambon, on the south coast of a small, mountainous island south of Ceram, is sheltered from the northeast flow, and is less cloudy... and radiation cooling reduces the temperature. Wamena, in a sheltered basin, reports a January mean high of 73° F (23° C) and a mean low of 68° F

Interannual variability in stratiform cloudiness and sea surface temperature

NASA Technical Reports Server (NTRS)

Norris, Joel R.; Leovy, Conway B.

1994-01-01

Marine stratiform cloudiness (MSC)(stratus, stratocumulus, and fog) is widespread over subtropical oceans west of the continents and over midlatitude oceans during summer, the season when MSC has maximum influence on surface downward radiation and is most influenced by boundary-layer processes. Long-term datasets of cloudiness and sea surface teperature (SST) from surface observations from 1952 to 1981 are used to examine interannual variations in MSC and SST. Linear correlations of anomalies in seasonal MSC amount with seasonal SST anomalies are negative and significant in midlatitude and eastern subtropical oceans, especially during summer. Significant negative correlations between SST and nimbostratus and nonprecipitating midlevel cloudiness are also observed at midlatitudes during summer, suggesting that summer storm tracks shift from year to year following year-to-year meridional shifts in the SST gradient. Over the 30-yr period, there are significant upward trends in MSC amount over the northern midlatitude oceans and a significant downward trend off the coast of California. The highest correlations and trends occur where gradients in MSC and SST are strongest. During summer, correlations between SST and MSC anomalies peak at zero lag in midlatitudes where warm advection prevails, but SST lags MSC in subtropical regions where cold advection predominates. This difference is attributed to a tendency for anomalies in latent heat flux to compensate anomalies in surface downward radiation in warm advection regions but not in cold advection regions.

Enhanced clear sky reflectance near clouds: What can be learned from it about aerosol properties?

NASA Astrophysics Data System (ADS)

Marshak, A.; Varnai, T.; Wen, G.; Chiu, J.

2009-12-01

Studies on aerosol direct and indirect effects require a precise separation of cloud-free and cloudy air. However, separation between cloud-free and cloudy areas from remotely-sensed measurements is ambiguous. The transition zone in the regions around clouds often stretches out tens of km, which are neither precisely clear nor precisely cloudy. We study the transition zone between cloud-free and cloudy air using MODerate-resolution Imaging Spectroradiometer (MODIS) and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) measurements. Both instruments show enhanced clear-sky reflectance (MODIS) and clear-sky backscatterer (CALIPSO) near clouds. Analyzing a large dataset of MODIS observations, we examine the effect of three-dimensional radiative interactions between clouds and cloud-free areas, also known as a cloud adjacency effect. The cloud adjacency effect is well observed in MODIS clear-sky data in the vicinity of clouds. Comparing with CALIPSO clear-sky backscatterer measurements, we show that this effect may be responsible for a large portion of the enhanced clear-sky reflectance observed by MODIS. Finally, we describe a simple model that estimates the cloud-induced enhanced reflectances of cloud-free areas in the vicinity of clouds. The model assumes that the enhancement is due entirely to Rayleigh scattering and is therefore bigger at shorter wavelengths, thus creating a so-called apparent “bluing” of aerosols in remote sensing retrievals.

Analyzing Multidecadal Trends in Cloudiness Over the Subtropical Andes Mountains of South America Using a Regional Climate Model.

NASA Astrophysics Data System (ADS)

Zaitchik, B. F.; Russell, A.; Gnanadesikan, A.

2016-12-01

Satellite-based products indicate that many parts of South America have been experiencing increases in outgoing longwave radiation (OLR) and corresponding decreases in cloudiness over the last few decades, with the strongest trends occurring in the subtropical Andes Mountains - an area that is highly vulnerable to climate change due to its reliance on glacial melt for dry-season runoff. Changes in cloudiness may be contributing to increases in atmospheric temperature, thereby raising the freezing level height (FLH) - a critical geophysical parameter. Yet these trends are only partially captured in reanalysis products, while AMIP climate models generally show no significant trend in OLR over this timeframe, making it difficult to determine the underlying drivers. Therefore, controlled numerical experiments with a regional climate model are performed in order to investigate drivers of the observed OLR and cloudiness trends. The Weather Research and Forecasting model (WRF) is used here because it offers several advantages over global models, including higher resolution - a critical asset in areas of complex topography - as well as flexible physics, parameterization, and data assimilation capabilities. It is likely that changes in the mean states and meridional gradients of SSTs in the Pacific and Atlantic oceans are driving regional trends in clouds. A series of lower boundary manipulations are performed with WRF to determine to what extent changes in SSTs influence regional OLR.

Characterization of bubble core and cloudiness in Yb3+:Sr5(PO4)3F crystals using Micro-Raman spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui, Y; Roy, U N; Bai, L

Ytterbium doped strontium fluoroapatite Yb{sup 3+}:Sr{sub 5}(PO{sub 4}){sub 3}F (Yb: S-FAP) crystals have been used in High Average Power Laser systems as gain medium. Growth induced defects associated with the crystal often affect their performance. In order to improve the crystal quality and its optical applications, it is imperative to understand the nature of these defects. In this study, we utilize Micro-Raman spectroscopy to characterize two common growth-induced defects: bubble core and cloudiness. We find the bubble core consist of voids and microcrystals of Yb: S-FAP. These microcrystals have very different orientation from that of the pure crystal outside themore » bubble core. In contrast to a previous report, neither Sr{sub 3}(PO{sub 4}){sub 2} nor Yb{sub 2}O{sub 3} are observed in the bubble core regions. On the other hand, the cloudy regions are made up of the host materials blended with a structural deformation along with impurities which include CaCO{sub 3}, YbPO{sub 4}, SrHPO{sub 4} and Sr{sub 2}P{sub 2}O{sub 7}. The impurities are randomly distributed in the cloudy regions. This analysis is necessary for understanding and eliminating these growth defects in Yb:S-FAP crystals.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan Changshuo; Wang Jianmin, E-mail: wangjm@ihep.ac.c

High spatial resolution observations show that high-redshift galaxies are undergoing intensive evolution of dynamical structure and morphologies displayed by the H{alpha}, H{beta}, [O III], and [N II] images. It has been shown that supernova explosion (SNexp) of young massive stars during the star formation epoch, as kinetic feedback to host galaxies, can efficiently excite the turbulent viscosity. We incorporate the feedback into the dynamical equations through mass dropout and angular momentum transportation driven by the SNexp-excited turbulent viscosity. The empirical Kennicutt-Schmidt law is used for star formation rates (SFRs). We numerically solve the equations and show that there can bemore » intensive evolution of structure of the gaseous disk. Secular evolution of the disk shows interesting characteristics: (1) high viscosity excited by SNexp can efficiently transport the gas from 10 kpc to {approx}1 kpc forming a stellar disk whereas a stellar ring forms for the case with low viscosity; (2) starbursts trigger SMBH activity with a lag of {approx}10{sup 8} yr depending on SFRs, prompting the joint evolution of SMBHs and bulges; and (3) the velocity dispersion is as high as {approx}100 km s{sup -1} in the gaseous disk. These results are likely to vary with the initial mass function (IMF) that the SNexp rates rely on. Given the IMF, we use the GALAXEV code to compute the spectral evolution of stellar populations based on the dynamical structure. In order to compare the present models with the observed dynamical structure and images, we use the incident continuum from the simple stellar synthesis and CLOUDY to calculate emission line ratios of H{alpha}, H{beta}, [O III], and [N II], and H{alpha} brightness of gas photoionized by young massive stars formed on the disks. The models can produce the main features of emission from star-forming galaxies. We apply the present model to two galaxies, BX 389 and BX 482 observed in the SINS high-z sample, which are bulge and disk-dominated, respectively. Two successive rings independently evolving are able to reproduce the main dynamical and emission properties of the two galaxies, such as the Baldwin-Phillips-Terlevich diagram, the relation between line ratios, and H{alpha} brightness. The observed relation between turbulent velocity and the H{alpha} brightness can be explained by the present model. High viscosity excited by SNexp is able to efficiently transport the gas into a bulge to maintain high SFRs or to form a stellar ring close enough to the bulge so that it immigrates into the bulge of its host galaxy. This leads to a fast growing bulge. Implications and future work of the present models have been extensively discussed for galaxy formation in high-z universe.« less

Photoionization and Photofragmentation of the Endohedral Xe C60+ Molecular Ion

NASA Astrophysics Data System (ADS)

Aryal, Nagendra Bahadur

An experimental study of photoionization and fragmentation of the Xe C 60+ endohedral molecular ion is presented in the photon energy range of the well-known Xe 4d giant resonance, and evidence of redistribution of the Xe 4d oscillator strength in photon energy due to multipath interference is reported. Experiments were conducted at undulator beamline 10.0.1 of the Advanced Light Source (ALS) using the merged-beams technique. Prior to these measurements, macroscopic samples containing endohedral Xe C60 were prepared using a setup developed at the ALS. Endohedral Xe C60 yields as high as 2.5x10 -4 were synthesized and a pure Xe C60+ ion beam current of up to 5.5 pA was obtained for the merged-beams experiments. Cross sections were measured in the photon energy range 60 - 150 eV in 0.5 eV steps for single, double, and triple photoionization of endohedral Xe C 60+ accompanied by the loss of n pairs of carbon atoms yielding Xe C60-2n2+ (n = 0, 1), Xe C60-2n 3+ (n = 0, 1, 2, 3), and Xe C584+ photoion products. Reference absolute cross-section measurements were made for empty C60+ for the corresponding reaction channels. The spectroscopic measurements with Xe C60+ were placed onto an absolute scale by normalization to the reference cross sections for C60+ in ranges of photon energies where the Xe 4d contributions were negligible. Results for single photoionization and fragmentation of Xe C60+ show no evidence of the presence of the caged Xe atom. The measurements of double and triple photoionization with fragmentation of Xe C60+ exhibit prominent signatures of the Xe 4d resonance and together account for 6.6 +/- 1.5 of the total Xe 4d oscillator strength of 10. Compared to that for a free Xe atom, the Xe oscillator strength in Xe C60+ is redistributed in photon energy due to multipath interference of outgoing Xe 4d photoelectron waves that may be transmitted or reflected by the spherical C60+ molecular cage, yielding so-called confinement resonances. The experimental data are compared with numerous theoretical predictions for this novel single-molecule photoelectron interferometer system. The comparison indicates that the interference structure is sensitive to the geometry of the molecular cage.

Cloudy-sky Longwave Downward Radiation Estimation by Combining MODIS and AIRS/AMSU Measurements

NASA Astrophysics Data System (ADS)

Wang, T.; Shi, J.

2017-12-01

Longwave downward radiation (LWDR) is another main energy source received by the earth's surface except solar radiation. Its importance in regulating air temperature and balancing surface energy is enlarged especially under cloudy-sky. Unfortunately, to date, a large number of efforts have been made to derive LWDR from space under only clear-sky conditions leading to difficulty in utilizing space-based LWDR in most models due to its spatio-temporal discontinuity. Currently, only few studies focused on LWDR estimation under cloudy-sky conditions, while their global application is still questionable. In this paper, an alternative strategy is proposed aiming to derive high resolution(1km) cloudy-sky LWDR by fusing collocated satellite multi-sensor measurements. The results show that the newly developed method can work well and can derive LWDR at better accuracy with RMSE<27 W/m2 and bias < 10 W/m2 even under cloudy skies and at 1km scales. By comparing to CALIPSO-CloudSat-CERES-MODIS (CCCM) and SSF products of CERES, MERRA, ERA-interim and NCEP-CSFR products, the new approach demonstrates its superiority in terms of accuracy, temporal variation and spatial distribution pattern of LWDR. The comprehensive comparison analyses also reveal that, except for the proposed product, other four products (CERES, MERRA, ERA-interim and NCEP-CSFR) also show a big difference from each other in the LWDR spatio-temporal distribution pattern and magnitude. The difference between these products can still up to 60W/m2 even at the monthly scale, implying large uncertainties in current LWDR estimations. Besides the higher accuracy of the proposed method, more importantly, it provides unprecedented possibilities for jointly generating high resolution global LWDR datasets by connecting the NASA's Earth Observing System-(EOS) mission (MODIS-AIRS/AMSU) and the Suomi National Polar-orbiting Partnership-(NPP) mission (VIIRS-CrIS/ATMS). Meanwhile, the scheme proposed in this study also gives some clues for multiple data fusing in the remote sensing community.

Sea Ice, Clouds, Sunlight, and Albedo: The Umbrella Versus the Blanket

NASA Astrophysics Data System (ADS)

Perovich, D. K.

2017-12-01

The Arctic sea ice cover has undergone a major decline in recent years, with reductions in ice extent, ice thickness, and ice age. Understanding the feedbacks and forcing driving these changes is critical in improving predictions. The surface radiation budget plays a central role in summer ice melt and is governed by clouds and surface albedo. Clouds act as an umbrella reducing the downwelling shortwave, but also serve as a blanket increasing the downwelling longwave, with the surface albedo also determining the net balance. Using field observations from the SHEBA program, pairs of clear and cloudy days were selected for each month from May through September and the net radiation flux was calculated for different surface conditions and albedos. To explore the impact of albedo we calculated a break even albedo, where the net radiation for cloudy skies is the same as clear skies. For albedos larger than the break-even value the net radiation flux is smaller under clear skies compared to cloudy skies. Break-even albedos ranged from 0.30 in September to 0.58 in July. For snow covered or bare ice, clear skies always resulted in less radiative heat input. In contrast, leads always had, and ponds usually had, more radiative heat input under clear skies than cloudy skies. Snow covered ice had a net radiation flux that was negative or near zero under clear skies resulting in radiative cooling. We combined the albedo of individual ice types with the area of those ice types to calculate albedos averaged over a 50 km x 50 km area. The July case had the smallest areally averaged albedo of 0.50. This was less than the breakeven albedo, so cloudy skies had a smaller net radiation flux than clear skies. For the cases from the other four months, the areally averaged albedo was greater than the break-even albedo. The areally averaged net radiation flux was negative under clear skies for the May and September cases.

Limb Correction of Infrared Imagery in Cloudy Regions for the Improved Interpretation of RGB Composites

NASA Technical Reports Server (NTRS)

Elmer, Nicholas J.; Berndt, Emily; Jedlovec, Gary J.

2016-01-01

Red-Green-Blue (RGB) composites (EUMETSAT User Services 2009) combine information from several channels into a single composite image. RGB composites contain the same information as the original channels, but presents the information in a more efficient manner. However, RGB composites derived from infrared imagery of both polar-orbiting and geostationary sensors are adversely affected by the limb effect, which interferes with the qualitative interpretation of RGB composites at large viewing zenith angles. The limb effect, or limb-cooling, is a result of an increase in optical path length of the absorbing atmosphere as viewing zenith angle increases (Goldberg et al. 2001; Joyce et al. 2001; Liu and Weng 2007). As a result, greater atmospheric absorption occurs at the limb, causing the sensor to observe anomalously cooler brightness temperatures. Figure 1 illustrates this effect. In general, limb-cooling results in a 4-11 K decrease in measured brightness temperature (Liu and Weng 2007) depending on the infrared band. For example, water vapor and ozone absorption channels display much larger limb-cooling than infrared window channels. Consequently, RGB composites created from infrared imagery not corrected for limb effects can only be reliably interpreted close to nadir, which reduces the spatial coverage of the available imagery. Elmer (2015) developed a reliable, operational limb correction technique for clear regions. However, many RGB composites are intended to be used and interpreted in cloudy regions, so a limb correction methodology valid for both clear and cloudy regions is needed. This paper presents a limb correction technique valid for both clear and cloudy regions, which is described in Section 2. Section 3 presents several RGB case studies demonstrating the improved functionality of limb-corrected RGBs in both clear and cloudy regions, and Section 4 summarizes and presents the key conclusions of this work.

Remote sensing of PM2.5 during cloudy and nighttime periods using ceilometer backscatter

NASA Astrophysics Data System (ADS)

Li, Siwei; Joseph, Everette; Min, Qilong; Yin, Bangsheng; Sakai, Ricardo; Payne, Megan K.

2017-06-01

Monitoring PM2.5 (particulate matter with aerodynamic diameter d ≤ 2.5 µm) mass concentration has become of more importance recently because of the negative impacts of fine particles on human health. However, monitoring PM2.5 during cloudy and nighttime periods is difficult since nearly all the passive instruments used for aerosol remote sensing are not able to measure aerosol optical depth (AOD) under either cloudy or nighttime conditions. In this study, an empirical model based on the regression between PM2.5 and the near-surface backscatter measured by ceilometers was developed and tested using 6 years of data (2006 to 2011) from the Howard University Beltsville Campus (HUBC) site. The empirical model can explain ˜ 56, ˜ 34 and ˜ 42 % of the variability in the hourly average PM2.5 during daytime clear, daytime cloudy and nighttime periods, respectively. Meteorological conditions and seasons were found to influence the relationship between PM2.5 mass concentration and the surface backscatter. Overall the model can explain ˜ 48 % of the variability in the hourly average PM2.5 at the HUBC site when considering the seasonal variation. The model also was tested using 4 years of data (2012 to 2015) from the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site, which was geographically and climatologically different from the HUBC site. The results show that the empirical model can explain ˜ 66 and ˜ 82 % of the variability in the daily average PM2.5 at the ARM SGP site and HUBC site, respectively. The findings of this study illustrate the strong need for ceilometer data in air quality monitoring under cloudy and nighttime conditions. Since ceilometers are used broadly over the world, they may provide an important supplemental source of information of aerosols to determine surface PM2.5 concentrations.

Optimizing UV Index determination from broadband irradiances

NASA Astrophysics Data System (ADS)

Tereszchuk, Keith A.; Rochon, Yves J.; McLinden, Chris A.; Vaillancourt, Paul A.

2018-03-01

A study was undertaken to improve upon the prognosticative capability of Environment and Climate Change Canada's (ECCC) UV Index forecast model. An aspect of that work, and the topic of this communication, was to investigate the use of the four UV broadband surface irradiance fields generated by ECCC's Global Environmental Multiscale (GEM) numerical prediction model to determine the UV Index. The basis of the investigation involves the creation of a suite of routines which employ high-spectral-resolution radiative transfer code developed to calculate UV Index fields from GEM forecasts. These routines employ a modified version of the Cloud-J v7.4 radiative transfer model, which integrates GEM output to produce high-spectral-resolution surface irradiance fields. The output generated using the high-resolution radiative transfer code served to verify and calibrate GEM broadband surface irradiances under clear-sky conditions and their use in providing the UV Index. A subsequent comparison of irradiances and UV Index under cloudy conditions was also performed. Linear correlation agreement of surface irradiances from the two models for each of the two higher UV bands covering 310.70-330.0 and 330.03-400.00 nm is typically greater than 95 % for clear-sky conditions with associated root-mean-square relative errors of 6.4 and 4.0 %. However, underestimations of clear-sky GEM irradiances were found on the order of ˜ 30-50 % for the 294.12-310.70 nm band and by a factor of ˜ 30 for the 280.11-294.12 nm band. This underestimation can be significant for UV Index determination but would not impact weather forecasting. Corresponding empirical adjustments were applied to the broadband irradiances now giving a correlation coefficient of unity. From these, a least-squares fitting was derived for the calculation of the UV Index. The resultant differences in UV indices from the high-spectral-resolution irradiances and the resultant GEM broadband irradiances are typically within 0.2-0.3 with a root-mean-square relative error in the scatter of ˜ 6.6 % for clear-sky conditions. Similar results are reproduced under cloudy conditions with light to moderate clouds, with a relative error comparable to the clear-sky counterpart; under strong attenuation due to clouds, a substantial increase in the root-mean-square relative error of up to 35 % is observed due to differing cloud radiative transfer models.

Simutaneous Variational Retrievals of Temperature, Humidity, Surface and Cloud Properties from Satellite and Airborne Hyperspectral Infrared Sounder Data using the Havemann-Taylor Fast Radiative Transfer Code (HT-FRTC) as the Forward Model Operator

NASA Astrophysics Data System (ADS)

Havemann, S.; Thelen, J. C.; Harlow, R. C.

2016-12-01

Full scattering radiative transfer simulations for hyperspectral infrared and shortwave sounders are essential in order to be able to extract the maximal information content from these instruments for cloudy scenes and those with significant aerosol loading, but have been rarely done because of the high computational demands. The Havemann-Taylor Fast Radiative Transfer Code works in Principal Component space, reducing the computational demand by orders of magnitude thereby making fast simultaneous retrievals of vertical profiles of temperature and humidity, surface temperature and emissivity as well as cloud and aerosol properties feasible. Results of successful retrievals using IASI sounder data as well as data taken during flights of the Airborne Research Interferometer Evaluation System (ARIES) on board the FAAM Bae 146 aircraft will be presented. These will demonstrate that the use of all the instrument channels in PC space can provide valuable information both on temperature and humidity profiles relevant for NWP and on the cirrus cloud properties at the same time. There is very significant information on the humidity profile below semi-transparent cirrus to be gained from IR sounder data. The retrieved ice water content is in good agreement with airborne in-situ measurements during Lagrangian spiral descents. In addition to the full scattering calculations, the HT-FRTC has also been trained with a fast approximation to the scattering problem which reduces it to a clear-sky calculation but with a modified extinction (Chou scaling). Chou scaling is a reasonable approximation in the infrared but is very poor where the solar contribution becomes significant. The comparison of the retrieval performance with the full scattering solution and the Chou scaling solution in the forward model operator for infrared sounders shows that temperature and humidity profiles are only marginally degraded by the use of the Chou scaling approximation. Retrievals of the specific cloud parameters (ice water content, cirrus cloud thickness and cirrus cloud horizontal fraction) are however strongly negatively affected under the Chou scaling approximation. The aim is also to use HT-FRTC to run clear and cloudy simulations for the atmospheric state test set which has been prepared by the NASA/JPL/AIRS project.

Ionizing gas breakdown waves in strong electric fields.

NASA Technical Reports Server (NTRS)

Klingbeil, R.; Tidman, D. A.; Fernsler, R. F.

1972-01-01

A previous analysis by Albright and Tidman (1972) of the structure of an ionizing potential wave driven through a dense gas by a strong electric field is extended to include atomic structure details of the background atoms and radiative effects, especially, photoionization. It is found that photoionization plays an important role in avalanche propagation. Velocities, electron densities, and temperatures are presented as a function of electric field for both negative and positive breakdown waves in nitrogen.

Recent developments in atmospheric pressure photoionization-mass spectrometry.

PubMed

Kauppila, Tiina J; Syage, Jack A; Benter, Thorsten

2017-05-01

Recent developments in atmospheric pressure photoionization (APPI), which is one of the three most important ionization techniques in liquid chromatography-mass spectrometry, are reviewed. The emphasis is on the practical aspects of APPI analysis, its combination with different separation techniques, novel instrumental developments - especially in gas chromatography and ambient mass spectrometry - and the applications that have appeared in 2009-2014. © 2015 Wiley Periodicals, Inc. Mass Spec Rev 36:423-449, 2017. © 2015 Wiley Periodicals, Inc.

Traveling-wave laser-produced-plasma energy source for photoionization laser pumping and lasers incorporating said

DOEpatents

Sher, Mark H.; Macklin, John J.; Harris, Stephen E.

1989-09-26

A traveling-wave, laser-produced-plasma, energy source used to obtain single-pass gain saturation of a photoionization pumped laser. A cylindrical lens is used to focus a pump laser beam to a long line on a target. Grooves are cut in the target to present a surface near normal to the incident beam and to reduce the area, and hence increase the intensity and efficiency, of plasma formation.

Self-shielding of hydrogen in the IGM during the epoch of reionization

NASA Astrophysics Data System (ADS)

Chardin, Jonathan; Kulkarni, Girish; Haehnelt, Martin G.

2018-04-01

We investigate self-shielding of intergalactic hydrogen against ionizing radiation in radiative transfer simulations of cosmic reionization carefully calibrated with Lyα forest data. While self-shielded regions manifest as Lyman-limit systems in the post-reionization Universe, here we focus on their evolution during reionization (redshifts z = 6-10). At these redshifts, the spatial distribution of hydrogen-ionizing radiation is highly inhomogeneous, and some regions of the Universe are still neutral. After masking the neutral regions and ionizing sources in the simulation, we find that the hydrogen photoionization rate depends on the local hydrogen density in a manner very similar to that in the post-reionization Universe. The characteristic physical hydrogen density above which self-shielding becomes important at these redshifts is about nH ˜ 3 × 10-3 cm-3, or ˜20 times the mean hydrogen density, reflecting the fact that during reionization photoionization rates are typically low enough that the filaments in the cosmic web are often self-shielded. The value of the typical self-shielding density decreases by a factor of 3 between redshifts z = 3 and 10, and follows the evolution of the average photoionization rate in ionized regions in a simple fashion. We provide a simple parameterization of the photoionization rate as a function of density in self-shielded regions during the epoch of reionization.

Self-shielding of hydrogen in the IGM during the epoch of reionization

NASA Astrophysics Data System (ADS)

Chardin, Jonathan; Kulkarni, Girish; Haehnelt, Martin G.

2018-07-01

We investigate self-shielding of intergalactic hydrogen against ionizing radiation in radiative transfer simulations of cosmic reionization carefully calibrated with Lyα forest data. While self-shielded regions manifest as Lyman limit systems in the post-reionization Universe, here we focus on their evolution during reionization (redshifts z = 6-10). At these redshifts, the spatial distribution of hydrogen-ionizing radiation is highly inhomogeneous, and some regions of the Universe are still neutral. After masking the neutral regions and ionizing sources in the simulation, we find that the hydrogen photoionization rate depends on the local hydrogen density in a manner very similar to that in the post-reionization Universe. The characteristic physical hydrogen density above which self-shielding becomes important at these redshifts is about nH ˜ 3 × 10-3 cm-3, or ˜20 times the mean hydrogen density, reflecting the fact that during reionization photoionization rates are typically low enough that the filaments in the cosmic web are often self-shielded. The value of the typical self-shielding density decreases by a factor of 3 between redshifts z = 3 and 10, and follows the evolution of the average photoionization rate in ionized regions in a simple fashion. We provide a simple parametrization of the photoionization rate as a function of density in self-shielded regions during the epoch of reionization.

Photoionization in Ultraviolet Processing of Astrophysical Ice Analogs at Cryogenic Temperatures

NASA Technical Reports Server (NTRS)

Woon, David E.

2004-01-01

Two recent experimental studies have demonstrated that amino acids or amino acid precursors are generated when astrophysical ice analogs are subjected to ultraviolet (UV) irradiation at cryogenic temperatures. Understanding the complete phenomenology of photoprocessing is critical to elucidating chemical reaction mechanisms that can function within an ice matrix under very cold conditions. Pushing beyond the much better characterized study of photolytic dissociation of chemical bonds through electronic excitation, this work explored the ability of UV radiation present in the interstellar medium to ionize small molecules embedded in ices. Quantum chemical calculations, including bulk solvation effects, were used to study the ionization of hydrogen (H2), water, and methanol (CH3OH) bound in small clusters of water. Ionization potentials were found to be much smaller in the condensed phase than in the gas phase; even a small cluster can account for large changes in the ionization potentials in ice, as well as the known formation of an OH--H3O+ pair in the case of H2O photoionization. To gauge the impact of photoionization on subsequent grain chemistry, the reaction between OH and CO in the presence of H3O+ was studied and compared with the potential energy surface without hydronium present, which is relevant to chemistry following photolysis. The differences indicate that the reaction is somewhat more likely to proceed to products (H + CO2) in the case of photoionization.

Inner-shell photoionization and core-hole decay of Xe and XeF2.

PubMed

Southworth, Stephen H; Wehlitz, Ralf; Picón, Antonio; Lehmann, C Stefan; Cheng, Lan; Stanton, John F

2015-06-14

Photoionization cross sections and partial ion yields of Xe and XeF2 from Xe 3d(5/2), Xe 3d(3/2), and F 1s subshells in the 660-740 eV range are compared to explore effects of the F ligands. The Xe 3d-ϵf continuum shape resonances dominate the photoionization cross sections of both the atom and molecule, but prominent resonances appear in the XeF2 cross section due to nominal excitation of Xe 3d and F 1s electrons to the lowest unoccupied molecular orbital (LUMO), a delocalized anti-bonding MO. Comparisons of the ion products from the atom and molecule following Xe 3d photoionization show that the charge-state distribution of Xe ions is shifted to lower charge states in the molecule along with production of energetic F(+) and F(2+) ions. This suggests that, in decay of a Xe 3d core hole, charge is redistributed to the F ligands and the system dissociates due to Coulomb repulsion. The ion products from excitation of the F 1s-LUMO resonance are different and show strong increases in the yields of Xe(+) and F(+) ions. The subshell ionization thresholds, the LUMO resonance energies, and their oscillator strengths are calculated by relativistic coupled-cluster methods and agree well with measurements.

Beyond Naphthenic Acids: Environmental Screening of Water from Natural Sources and the Athabasca Oil Sands Industry Using Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

PubMed

Barrow, Mark P; Peru, Kerry M; Fahlman, Brian; Hewitt, L Mark; Frank, Richard A; Headley, John V

2015-09-01

There is a growing need for environmental screening of natural waters in the Athabasca region of Alberta, Canada, particularly in the differentiation between anthropogenic and naturally-derived organic compounds associated with weathered bitumen deposits. Previous research has focused primarily upon characterization of naphthenic acids in water samples by negative-ion electrospray ionization methods. Atmospheric pressure photoionization is a much less widely used ionization method, but one that affords the possibility of observing low polarity compounds that cannot be readily observed by electrospray ionization. This study describes the first usage of atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry (in both positive-ion and negative-ion modes) to characterize and compare extracts of oil sands process water, river water, and groundwater samples from areas associated with oil sands mining activities. When comparing mass spectra previously obtained by electrospray ionization and data acquired by atmospheric pressure photoionization, there can be a doubling of the number of components detected. In addition to polar compounds that have previously been observed, low-polarity, sulfur-containing compounds and hydrocarbons that do not incorporate a heteroatom were detected. These latter components, which are not amenable to electrospray ionization, have potential for screening efforts within monitoring programs of the oil sands.

Strong-field Photoionization of Sputtered Neutral Molecules for Molecular Depth Profiling

PubMed Central

Willingham, D; Brenes, D. A.; Wucher, A

2009-01-01

Molecular depth profiles of an organic thin film of guanine vapor deposited onto a Ag substrate are obtained using a 40 keV C60 cluster ion beam in conjunction with time-of-flight secondary ion mass spectrometric (ToF-SIMS) detection. Strong-field, femtosecond photoionization of intact guanine molecules is used to probe the neutral component of the profile for direct comparison with the secondary ion component. The ability to simultaneously acquire secondary ions and photoionized neutral molecules reveals new fundamental information about the factors that influence the properties of the depth profile. Results show that there is an increased ionization probability for protonated molecular ions within the first 10 nm due to the generation of free protons within the sample. Moreover, there is a 50% increase in fragment ion signal relative to steady state values 25 nm before reaching the guanine/Ag interface as a result of interfacial chemical damage accumulation. An altered layer thickness of 20 nm is observed as a consequence of ion beam induced chemical mixing. In general, we show that the neutral component of a molecular depth profile using the strong-field photoionization technique can be used to elucidate the effects of variations in ionization probability on the yield of molecular ions as well as to aid in obtaining accurate information about depth dependent chemical composition that cannot be extracted from TOF-SIMS data alone. PMID:20495665

Photoelectron wave function in photoionization: plane wave or Coulomb wave?

PubMed

Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

2015-11-19

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.