Stout: Cloudys Atomic and Molecular Database

We describe a new atomic and molecular database we developed for use in the spectral synthesis code Cloudy. The design of Stout is driven by the data needs of Cloudy, which simulates molecular, atomic, and ionized gas with kinetic temperatures 2.8 K < T < 1e10 K and densities spanning the low to high-density limits. The radiation field between photon energies $10^{-8}$ Ry and 100 MeV is considered, along with all atoms and ions of the lightest 30 elements, and ~100 molecules. For ease of maintenance, the data are stored in a format as close as possible to the original data sources. Few data sources include the full range of data we need. We describe how we fill in the gaps in the data or extrapolate rates beyond their tabulated range. We tabulate data sources both for the atomic spectroscopic parameters and for collision data for the next release of Cloudy. This is not intended as a review of the current status of atomic data, but rather a description of the features of the database which we will build upon.

Bootstrapping dielectronic recombination from second-row elements and the Orion Nebula

Dielectronic recombination (DR) is the dominant recombination process for most heavy elements in photoionized clouds. Accurate DR rates for a species can be predicted when the positions of autoionizing states are known. Unfortunately such data are not available for most third and higher-row elements. This introduces an uncertainty that is especially acute for photoionized clouds, where the low temperatures mean that DR occurs energetically through very low-lying autoionizing states. This paper discusses S$^{2+} rightarrow$ S$^+$ DR, the process that is largely responsible for establishing the [S~III]/[S~II] ratio in nebulae. We derive an empirical rate coefficient using a novel method for second-row ions, which do have accurate data. Photoionization models are used to reproduce the [O~III] / [O~II] / [O~I] / [Ne~III] intensity ratios in central regions of the Orion Nebula. O and Ne have accurate atomic data and can be used to derive an empirical S$^{2+} rightarrow$ S$^+$ DR rate coefficient at $sim 10^{4}$~K. We present new calculations of the DR rate coefficient for S$^{2+} rightarrow$ S$^+$ and quantify how uncertainties in the autoionizing level positions affect it. The empirical and theoretical results are combined and we derive a simple fit to the resulting rate coefficient at all temperatures for incorporation into spectral synthesis codes. This method can be used to derive empirical DR rates for other ions, provided that good observations of several stages of ionization of O and Ne are available.

Accurate determination of the free-free Gaunt factor. II - relativistic Gaunt factors

When modelling an ionised plasma, all spectral synthesis codes need the thermally averaged free-free Gaunt factor defined over a very wide range of parameter space in order to produce an accurate prediction for the spectrum. Until now no data set exists that would meet these needs completely. We have therefore produced a table of relativistic Gaunt factors over a much wider range of parameter space than has ever been produced before. We present tables of the thermally averaged Gaunt factor covering the range log10(gamma^2) = -6 to 10 and log10(u) = -16 to 13 for all atomic numbers Z = 1 through 36. The data were calculated using the relativistic Bethe-Heitler-Elwert (BHE) approximation and were subsequently merged with accurate non-relativistic results in those parts of the parameter space where the BHE approximation is not valid. These data will be incorporated in the next major release of the spectral synthesis code Cloudy. We also produced tables of the frequency integrated Gaunt factor covering the parameter space log10(gamma^2) = -6 to 10 for all values of Z between 1 and 36. All the data presented in this paper are available online.

Detecting the rapidly expanding outer shell of the Crab Nebula: where to look

We present a range of steady-state photoionization simulations, corresponding to different assumed shell geometries and compositions, of the unseen postulated rapidly expanding outer shell to the Crab Nebula. The properties of the shell are constrained by the mass that must lie within it, and by limits to the intensities of hydrogen recombination lines. In all cases the photoionization models predict very strong emission from high ionization lines that will not be emitted by the Crabs filaments, alleviating problems with detecting these lines in the presence of light scattered from brighter parts of the Crab. The NIR [Ne VI] $lambda$7.652 $mu$m line is a particularly good case; it should be dramatically brighter than the optical lines commonly used in searches. The C IV $lambda1549AA$ doublet is predicted to be the strongest absorption line from the shell, which is in agreement with HST observations. We show that the cooling timescale for the outer shell is much longer than the age of the Crab, due to the low density. This means that the temperature of the shell will actually remember its initial conditions. However, the recombination time is much shorter than the age of the Crab, so the predicted level of ionization should approximate the real ionization. In any case, it is clear that IR observations present the best opportunity to detect the outer shell and so guide future models that will constrain early events in the original explosion.

Studies of NGC 6720 with Calibrated HST WFC3 Emission-Line Filter Images--III:Tangential Motions using AstroDrizzle Images

We have been able to compare with astrometric precision AstroDrizzle processed images of NGC 6720 (the Ring Nebula) made using two cameras on the Hubble Space Telescope. The time difference of the observations was 12.925 yrs. This large time-base allowed determination of tangential velocities of features within this classic planetary nebula. Individual features were measured in [N II] images as were the dark knots seen in silhouette against background nebular [O III] emission. An image magnification and matching technique was also used to test the accuracy of the usual assumption of homologous expansion. We found that homologous expansion does apply, but the rate of expansion is greater along the major axis of the nebula, which is intrinsically larger than the minor axis. We find that the dark knots expand more slowly that the nebular gas, that the distance to the nebula is 720 pc +/-30%, and the dynamic age of the Ring Nebula is about 4000 yrs. The dynamic age is in agreement with the position of the central star on theoretical curves for stars collapsing from the peak of the Asymptotic Giant Branch to being white dwarfs.

The Nature of the H2-Emitting Gas in the Crab Nebula

Understanding how molecules and dust might have formed within a rapidly expanding young supernova remnant is important because of the obvious application to vigorous supernova activity at very high redshift. In previous papers, we found that the H2 emission is often quite strong, correlates with optical low-ionization emission lines, and has a surprisingly high excitation temperature. Here we study Knot 51, a representative, bright example, for which we have available long slit optical and NIR spectra covering emission lines from ionized, neutral, and molecular gas, as well as HST visible and SOAR Telescope NIR narrow-band images. We present a series of CLOUDY simulations to probe the excitation mechanisms, formation processes and dust content in environments that can produce the observed H2 emission. We do not try for an exact match between model and observations given Knot 51s ambiguous geometry. Rather, we aim to explain how the bright H2 emission lines can be formed from within the volume of Knot 51 that also produces the observed optical emission from ionized and neutral gas. Our models that are powered only by the Crabs synchrotron radiation are ruled out because they cannot reproduce the strong, thermal H2 emission. The simulations that come closest to fitting the observations have the core of Knot 51 almost entirely atomic with the H2 emission coming from just a trace molecular component, and in which there is extra heating. In this unusual environment, H2 forms primarily by associative detachment rather than grain catalysis. In this picture, the 55 H2-emitting cores that we have previously catalogued in the Crab have a total mass of about 0.1 M_sun, which is about 5% of the total mass of the system of filaments. We also explore the effect of varying the dust abundance. We discuss possible future observations that could further elucidate the nature of these H2 knots.

Pumping up the [N I] nebular lines

The optical [N I] doublet near 5200 {AA} is anomalously strong in a variety of emission-line objects. We compute a detailed photoionization model and use it to show that pumping by far-ultraviolet (FUV) stellar radiation previously posited as a general explanation applies to the Orion Nebula (M42) and its companion M43; but, it is unlikely to explain planetary nebulae and supernova remnants. Our models establish that the observed nearly constant equivalent width of [N I] with respect to the dust-scattered stellar continuum depends primarily on three factors: the FUV to visual-band flux ratio of the stellar population; the optical properties of the dust; and the line broadening where the pumping occurs. In contrast, the intensity ratio [N I]/H{beta} depends primarily on the FUV to extreme-ultraviolet ratio, which varies strongly with the spectral type of the exciting star. This is consistent with the observed difference of a factor of five between M42 and M43, which are excited by an O7 and B0.5 star respectively. We derive a non-thermal broadening of order 5 km/s for the [N I] pumping zone and show that the broadening mechanism must be different from the large-scale turbulent motions that have been suggested to explain the line-widths in this H II region. A mechanism is required that operates at scales of a few astronomical units, which may be driven by thermal instabilities of neutral gas in the range 1000 to 3000 K. In an appendix, we describe how collisional and radiative processes are treated in the detailed model N I atom now included in the Cloudy plasma code.

Improved He I Emissivities in the Case B Approximation

We update our prior work on the case B collisional-recombination spectrum of He I to incorporate textit{ab initio} photoionisation cross-sections. This large set of accurate, self-consistent cross-sections represents a significant improvement in He I emissivity calculations because it largely obviates the piecemeal nature that has marked all modern works. A second, more recent set of textit{ab initio} cross-sections is also available, but we show that those are less consistent with bound-bound transition probabilities than our adopted set. We compare our new effective recombination coefficients with our prior work and our new emissivities with those by other researchers, and we conclude with brief remarks on the effects of the present work on the He I error budget. Our calculations cover temperatures $5000 le T_e le 25000$ K and densities $10^1 le n_e le 10^{14}$ cm$^{-3}$. Full results are available online.

A Bright Molecular Core in a Crab Nebula Filament

In a sub-arcsec near-infrared survey of the Crab Nebula using the new Spartan Infrared Camera, we have found several knots with high surface brightness in the H_2 2.12 micron line and a very large H_2 2.12 micron to Br-gamma ratio. The brightest of these knots has an intensity ratio I(H_2 2.12 micron)/I(Br-gamma) = 18+/-9, which we show sets a lower limit on the ratio of masses in the molecular and recombination (i.e. ionized) zones M_mol / M_rec >/- 0.9, and a total molecular mass within this single knot M_mol >/- 5E-5 M_sun. We argue that the knot discussed here probably is able to emit so strongly in the 2.12 micron line because its physical conditions are better tuned for such emission than is the case in other filaments. It is unclear whether this knot has an unusually large M_mol / M_rec ratio, or if many other Crab filaments also have similar amounts of molecular gas which is not emitting because the physical conditions are not so well tuned.

Electron impact excitation of OII fine-structure levels

Effective collision strengths for forbidden transitions among the 5 energetically lowest finestructure levels of O II are calculated in the Breit-Pauli approximation using the R-matrix method. Results are presented for the electron temperature range 100 to 100 000 K. The accuracy of the calculations is evaluated via the use of different types of radial orbital sets and a different configuration expansion basis for the target wavefunctions. A detailed assessment of previous available data is given, and erroneous results are highlighted. Our results reconfirm the validity of the original Seaton and Osterbrock scaling for the optical O II ratio, a matter of some recent controversy. Finally we present plasma diagnostic diagrams using the best collision strengths and transition probabilities.