Chemical Modelling of Young Stellar Objects, I. Method and Benchmarks

Upcoming facilities such as the Herschel Space Observatory or ALMA will deliver a wealth of molecular line observations of young stellar objects (YSOs). Based on line fluxes, chemical abundances can then be estimated by radiative transfer calculations. To derive physical properties from abundances, the chemical network needs to be modeled and fitted to the observations. This modeling process is however computationally exceedingly demanding, particularly if in addition to density and temperature, far UV (FUV) irradiation, X-rays, and multi-dimensional geometry have to be considered. We develop a fast tool, suitable for various applications of chemical modeling in YSOs. A grid of the chemical composition of the gas having a density, temperature, FUV irradiation and X-ray flux is pre-calculated as a function of time. A specific interpolation approach is developed to reduce the database to a feasible size. Published models of AFGL 2591 are used to verify the accuracy of the method. A second benchmark test is carried out for FUV sensitive molecules. The novel method for chemical modeling is more than 250,000 times faster than direct modeling and agrees within a mean factor of 1.35. The tool is distributed for public use. In the course of devloping the method, the chemical evolution is explored: We find that X-ray chemistry in envelopes of YSOs can be reproduced by means of an enhanced cosmic-ray ionization rate. We further find that the abundance of CH+ in low-density gas with high ionization can be enhanced by the recombination of doubly ionized carbon (C++) and suggest a new value for the initial abundance of the main sulphur carrier in the hot-core.Comment: Accepted by ApJS. 24 pages, 15 figures. A version with higher resolution images is available from http://www.astro.phys.ethz.ch/staff/simonbr/papgridI.pdf . Online data available at http://www.astro.phys.ethz.ch/chemgrid.html . Second paper of this series of papers available at arXiv:0906.058

Cheating for Problem Solving: A Genetic Algorithm with Social Interactions

We propose a variation of the standard genetic algorithm that incorporates social interaction between the individuals in the population. Our goal is to understand the evolutionary role of social systems and its possible application as a non-genetic new step in evolutionary algorithms. In biological populations, ie animals, even human beings and microorganisms, social interactions often affect the fitness of individuals. It is conceivable that the perturbation of the fitness via social interactions is an evolutionary strategy to avoid trapping into local optimum, thus avoiding a fast convergence of the population. We model the social interactions according to Game Theory. The population is, therefore, composed by cooperator and defector individuals whose interactions produce payoffs according to well known game models (prisoner's dilemma, chicken game, and others). Our results on Knapsack problems show, for some game models, a significant performance improvement as compared to a standard genetic algorithm.Comment: 7 pages, 5 Figures, 5 Tables, Proceedings of Genetic and Evolutionary Computation Conference (GECCO 2009), Montreal, Canad

Classical novae and type I X-ray bursts: challenges for the 21st century

Classical nova explosions and type I X-ray bursts are the most frequent types of thermonuclear stellar explosions in the Galaxy. Both phenomena arise from thermonuclear ignition in the envelopes of accreting compact objects in close binary star systems. Detailed observations of these events have stimulated numerous studies in theoretical astrophysics and experimental nuclear physics. We discuss observational features of these phenomena and theoretical efforts to better understand the energy production and nucleosynthesis in these explosions. We also examine and summarize studies directed at identifying nuclear physics quantities with uncertainties that significantly affect model predictions.Comment: 40 pages, accepted for AIP Advances: Stardust - Progress and Problems in Nuclear Astrophysic

Anisotropic winds from close-in extra-solar planets

We present two-dimensional hydrodynamic models of thermally driven winds from highly irradiated, close-in extra-solar planets. We adopt a very simple treatment of the radiative heating processes at the base of the wind, and instead focus on the differences between the properties of outflows in multidimensions in comparison to spherically symmetric models computed with the same methods. For hot (T > 2 x 10^{4} K) or highly ionized gas, we find strong (supersonic) polar flows are formed above the planet surface which produce weak shocks and outflow on the night-side. In comparison to a spherically symmetric wind with the same parameters, the sonic surface on the day-side is much closer to the planet surface in multidimensions, and the total mass loss rate is reduced by almost a factor of four. We also compute the steady-state structure of interacting planetary and stellar winds. Both winds end in a termination shock, with a parabolic contact discontinuity which is draped over the planet separating the two shocked winds. The planetary wind termination shock and the sonic surface in the wind are well separated, so that the mass loss rate from the planet is essentially unaffected. However, the confinement of the planetary wind to the small volume bounded by the contact discontinuity greatly enhances the column density close to the planet, which might be important for the interpretation of observations of absorption lines formed by gas surrounding transiting planets.Comment: ApJ accepte

Invariant Manifolds and Rate Constants in Driven Chemical Reactions

Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the construction of the normally hyperbolic invariant manifold (NHIM) [and moving dividing surface (DS)] associated with the transition state trajectory. Here, we extend our recent methods by constructing points on the NHIM accurately even for multidimensional cases. We also advance the implementation of machine learning approaches to construct smooth versions of the NHIM from a known high-accuracy set of its points. That is, we expand on our earlier use of neural nets, and introduce the use of Gaussian process regression for the determination of the NHIM. Finally, we compare and contrast all of these methods for a challenging two-dimensional model barrier case so as to illustrate their accuracy and general applicability.Comment: 28 pages, 13 figures, table of contents figur

Coupling hydrodynamics with comoving frame radiative transfer: II. Stellar wind stratification in the high-mass X-ray binary Vela X-1

CONTEXT: Vela X-1, a prototypical high mass X-ray binary (HMXB), hosts a neutron star (NS) in a close orbit around an early-B supergiant donor star. Accretion of the donor star's wind onto the NS powers its strong X-ray luminosity. To understand the physics of HMXBs, detailed knowledge about the donor star winds is required. AIMS: To gain a realistic picture of the donor star in Vela X-1, we constructed a hydrodynamically consistent atmosphere model describing the wind stratification while properly reproducing the observed donor spectrum. To investigate how X-ray illumination affects the stellar wind, we calculated additional models for different X-ray luminosity regimes. METHODS: We use the recently updated version of the PoWR code to consistently solve the hydrodynamic equation together with the statistical equations and the radiative transfer. RESULTS: The wind flow in Vela X-1 is driven by ions from various elements with Fe III and S III leading in the outer wind. The model-predicted mass-loss rate is in line with earlier empirical studies. The mass-loss rate is almost unaffected by the presence of the accreting NS in the wind. The terminal wind velocity is confirmed at $v_\infty \approx 600$ km/s. On the other hand, the wind velocity in the inner region where the NS is located is only $\approx 100$ km/s, which is not expected on the basis of a standard $\beta$-velocity law. In models with an enhanced level of X-rays, the velocity field in the outer wind can be altered. If the X-ray flux is too high, the acceleration breaks down because the ionization increases. CONCLUSIONS: Accounting for radiation hydrodynamics, our Vela X-1 donor atmosphere model reveals a low wind speed at the NS location, and it provides quantitative information on wind driving in this important HMXB.Comment: 19 pages, 10 figures, accepted for publication in Astronomy & Astrophysic

Temporal-varying failures of nodes in networks

We consider networks in which random walkers are removed because of the failure of specific nodes. We interpret the rate of loss as a measure of the importance of nodes, a notion we denote as failure-centrality. We show that the degree of the node is not sufficient to determine this measure and that, in a first approximation, the shortest loops through the node have to be taken into account. We propose approximations of the failure-centrality which are valid for temporal-varying failures and we dwell on the possibility of externally changing the relative importance of nodes in a given network, by exploiting the interference between the loops of a node and the cycles of the temporal pattern of failures. In the limit of long failure cycles we show analytically that the escape in a node is larger than the one estimated from a stochastic failure with the same failure probability. We test our general formalism in two real-world networks (air-transportation and e-mail users) and show how communities lead to deviations from predictions for failures in hubs.Comment: 7 pages, 3 figure