Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest

Partition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10000 K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber and Herzberg with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura. Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also provides a possible foundation for future improvement by the community.Comment: 13 pages, 8 figures, 8 tables. Full tables 1, 2, 4, 5, 6, 7 and 8 to be made available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A

The Definition and Measurement of the Topological Entropy per Unit Volume in Parabolic PDE's

We define the topological entropy per unit volume in parabolic PDE's such as the complex Ginzburg-Landau equation, and show that it exists, and is bounded by the upper Hausdorff dimension times the maximal expansion rate. We then give a constructive implementation of a bound on the inertial range of such equations. Using this bound, we are able to propose a finite sampling algorithm which allows (in principle) to measure this entropy from experimental data.Comment: 26 pages, 1 small figur

Complexity for extended dynamical systems

We consider dynamical systems for which the spatial extension plays an important role. For these systems, the notions of attractor, epsilon-entropy and topological entropy per unit time and volume have been introduced previously. In this paper we use the notion of Kolmogorov complexity to introduce, for extended dynamical systems, a notion of complexity per unit time and volume which plays the same role as the metric entropy for classical dynamical systems. We introduce this notion as an almost sure limit on orbits of the system. Moreover we prove a kind of variational principle for this complexity.Comment: 29 page

A Check of a D=4 Field-Theoretical Calculation Using the High-Temperature Expansion for Dyson's Hierarchical Model

We calculate the high-temperature expansion of the 2-point function up to order 800 in beta. We show that estimations of the critical exponent gamma based on asymptotic analysis are not very accurate in presence of confluent logarithmic singularities. Using a direct comparison between the actual series and the series obtained from a parametrization of the form (beta_c -beta)^(-gamma) (Ln(beta_c -beta))^p +r), we show that the errors are minimized for gamma =0.9997 and p=0.3351, in very good agreement with field-theoretical calculations. We briefly discuss the related questions of triviality and hyperscalingComment: Uses Revtex, 27 pages including 13 figure

Inelastic O+H collisions and the OI 777nm solar centre-to-limb variation

The OI 777 nm triplet is a key diagnostic of oxygen abundances in the atmospheres of FGK-type stars; however it is sensitive to departures from local thermodynamic equilibrium (LTE). The accuracy of non-LTE line formation calculations has hitherto been limited by errors in the inelastic O+H collisional rate coefficients: several recent studies have used the so-called Drawin recipe, albeit with a correction factor $\mathrm{S_{H}}$ that is calibrated to the solar centre-to-limb variation of the triplet. We present a new model oxygen atom that incorporates inelastic O+H collisional rate coefficients using an asymptotic two-electron model based on linear combinations of atomic orbitals, combined with a free electron model, based on the impulse approximation. Using a 3D hydrodynamic stagger model solar atmosphere and 3D non-LTE line formation calculations, we demonstrate that this physically-motivated approach is able to reproduce the solar centre-to-limb variation of the triplet to 0.02 dex, without any calibration of the inelastic collisional rate coefficients or other free parameters. We infer $\log\epsilon_{\mathrm{O}}=8.69\pm0.03$ from the triplet alone, strengthening the case for a low solar oxygen abundance.Comment: 13 pages, 8 figures; published in Astronomy & Astrophysic

Effective temperature determinations of late-type stars based on 3D non-LTE Balmer line formation

Hydrogen Balmer lines are commonly used as spectroscopic effective temperature diagnostics of late-type stars. However, the absolute accuracy of classical methods that are based on one-dimensional (1D) hydrostatic model atmospheres and local thermodynamic equilibrium (LTE) is still unclear. To investigate this, we carry out 3D non-LTE calculations for the Balmer lines, performed, for the first time, over an extensive grid of 3D hydrodynamic STAGGER model atmospheres. For H$\alpha$, H$\beta$, and H$\gamma$, we find significant 1D non-LTE versus 3D non-LTE differences (3D effects): the outer wings tend to be stronger in 3D models, particularly for H$\gamma$, while the inner wings can be weaker in 3D models, particularly for H$\alpha$. For H$\alpha$, we also find significant 3D LTE versus 3D non-LTE differences (non-LTE effects): in warmer stars ($T_{\text{eff}}\approx6500$K) the inner wings tend to be weaker in non-LTE models, while at lower effective temperatures ($T_{\text{eff}}\approx4500$K) the inner wings can be stronger in non-LTE models; the non-LTE effects are more severe at lower metallicities. We test our 3D non-LTE models against observations of well-studied benchmark stars. For the Sun, we infer concordant effective temperatures from H$\alpha$, H$\beta$, and H$\gamma$; however the value is too low by around 50K which could signal residual modelling shortcomings. For other benchmark stars, our 3D non-LTE models generally reproduce the effective temperatures to within $1\sigma$ uncertainties. For H$\alpha$, the absolute 3D effects and non-LTE effects can separately reach around 100K, in terms of inferred effective temperatures. For metal-poor turn-off stars, 1D LTE models of H$\alpha$ can underestimate effective temperatures by around 150K. Our 3D non-LTE model spectra are publicly available, and can be used for more reliable spectroscopic effective temperature determinations.Comment: 19 pages, 10 figures, abstract abridged; accepted for publication in Astronomy & Astrophysic

Spectral degeneracy and escape dynamics for intermittent maps with a hole

We study intermittent maps from the point of view of metastability. Small neighbourhoods of an intermittent fixed point and their complements form pairs of almost-invariant sets. Treating the small neighbourhood as a hole, we first show that the absolutely continuous conditional invariant measures (ACCIMs) converge to the ACIM as the length of the small neighbourhood shrinks to zero. We then quantify how the escape dynamics from these almost-invariant sets are connected with the second eigenfunctions of Perron-Frobenius (transfer) operators when a small perturbation is applied near the intermittent fixed point. In particular, we describe precisely the scaling of the second eigenvalue with the perturbation size, provide upper and lower bounds, and demonstrate $L^1$ convergence of the positive part of the second eigenfunction to the ACIM as the perturbation goes to zero. This perturbation and associated eigenvalue scalings and convergence results are all compatible with Ulam's method and provide a formal explanation for the numerical behaviour of Ulam's method in this nonuniformly hyperbolic setting. The main results of the paper are illustrated with numerical computations.Comment: 34 page

Brain MRI segmentation and lesion detection using generalized Gaussian and Rician modeling

In this paper we propose a mixed noise modeling so as to segment the brain and to detect lesion. Indeed, accurate segmentation of multimodal (T1, T2 and Flair) brain MR images is of great interest for many brain disorders but requires to efficiently manage multivariate correlated noise between available modalities. We addressed this problem in1 by proposing an entirely unsupervised segmentation scheme, taking into account multivariate Gaussian noise, imaging artifacts,intrinsic tissue variation and partial volume effects in a Bayesian framework. Nevertheless, tissue classification remains a challenging task especially when one addresses the lesion detection during segmentation process2 as we did. In order to improve brain segmentation into White and Gray Matter (resp. WM and GM) and cerebro-spinal fluid (CSF), we propose to fit a Rician (RC) density distribution for CSF whereas Generalized Gaussian (GG) models are used to fit the likelihood between model and data corresponding to WM and GM. In this way, we present in this paper promising results showing that in a multimodal segmentation-detection scheme, this model fits better with the data and increases lesion detection rate. One of the main challenges consists in being able to take into account various pdf (Gaussian and non- Gaussian) for correlated noise between modalities and to show that lesion-detection is then clearly improved, probably because non-Gaussian noise better fits to the physic of MRI image acquisition