Kinetic Monte Carlo method for simulating astrochemical kinetics: Test calculations of molecular hydrogen formation on interstellar dust particles

Molecular hydrogen formation on the surfaces of interstellar dust grains has been studied numerically. Different stochastic methods (analogue Monte Carlo methods, direct solutions of the chemical master equation, continuous-time random-walk simulations, etc.) have been recently applied to the astrochemistry of hydrogen formation; however, the computational efficiency of these approaches is usually low because they are extremely time consuming (Herbst and Shematovich, 2003). A kinetic version of the Monte Carlo method based on splitting by physical processes is presented in the study. Each of the basic physical processes—adsorption of atomic hydrogen on the surface, thermal diffusion, formation of molecular hydrogen, and hydrogen desorption from the surface-are considered as independent random Markovian-type processes and are simulated using stochastic algorithms. The suggested numerical model is computationally efficient allowing calculations to be held on model surfaces with up to 10⁶ active centers, which corresponds to interstellar grains of up to 0.4 μm in diameter. Test calculations of the efficiency of molecular hydrogen formation were held for the two models of the surfaces of interplanetary grains, namely, for the homogeneous surfaces of olivine and amorphous carbon. It was confirmed that the effective formation of molecular hydrogen in diffuse molecular clouds is possible only within a narrow range of dust-particle temperatures. A comparison with the numerical results of other authors is presented.     

Molecules and dust in circumstellar shells

Circumstellar shells provide a unique environment for the study of dust formation and the relation of dust composition to specific atomic and molecular components. As a specific example, the formation of carbonaceous dust is discussed in relation to the presence of polycyclic aromatic hydrocarbon molecules and their survival in the interstellar medium. Some conclusions will be drawn concerning the composition of carbonaceous dust in circumstellar sources and that in the diffuse interstellar medium.     

Dust metamorphosis in the galaxy

Summary Cosmic dust grains play an important role for the thermal, dynamical, and chemical structure of the interstellar medium. This is especially true for the star formation process and the late stages of stellar evolution. Dust grains determine the spectral appearance of protostars, very young stellar objects with disk-like structures as well as of evolved stars with circumstellar envelopes.In this review, we will demonstrate that solid particles in interstellar space are both agent and subject of galactic evolution. We will especially discuss the different dust populations in circumstellar envelopes, the diffuse interstellar medium, and the molecular clouds with strong emphasis on the evolutionary aspects and the metamorphosis of these populations.     

Observations of the near and far ultraviolet background

The diffuse ultraviolet radiation field is seen over the entire sky and is a tracer of both the hot (in the form of lines such as CIV and OVI) and cold component (in the form of interstellar dust or molecular hydrogen) of the interstellar medium. Observations over the last 40 years have been continually pushing the boundaries of the available instrumentation but are now bearing fruit in a much better definition of the radiation and an understanding of its constituents, both foreground, such as airglow or zodiacal light, and cosmic. I present a review of the current state of observations of the far and near ultraviolet background.     

The effect of grain size distribution on H2 formation rate in the interstellar medium

The formation of molecular hydrogen  (H₂)  in the interstellar medium takes place on the surfaces of dust grains. Hydrogen molecules play a role in gas-phase reactions that produce other molecules, some of which serve as coolants during gravitational collapse and star formation. Thus, the evaluation of the production rate of hydrogen molecules and its dependence on the physical conditions in the cloud are of great importance. Interstellar dust grains exhibit a broad size distribution in which the small grains capture most of the surface area. Recent studies have shown that the production efficiency strongly depends on the grain composition and temperature as well as on its size. In this paper, we present a formula that provides the total production rate of  H₂  per unit volume in the cloud, taking into account the grain composition and temperature as well as the grain size distribution. The formula agrees very well with the master equation results. It shows that for a physically relevant range of grain temperatures, the production rate of  H₂  is significantly enhanced due to their broad size distribution.     

What is the Behavior of the ISM in the SMC?

We describe quantitatively the neutral hydrogen (HI) and dust content of the interstellar medium (ISM) in the Small Magellanic Cloud (SMC),using the spatial power spectrum. The velocity modification of the HI density power spectrum is investigated and discussed.     

An elementary model for the dust cycle in galaxies

We give an elementary model for the evolution of dust in galaxies, based on abundance arguments. The model takes account of grain core production in both supernovae and giant stars, and includes mantle growth in the interstellar medium. Destruction of grain cores does not appear to be a dominant effect. We show that a self-consistent picture can be made in which the interstellar dust mass is an approximately constant fraction of the heavy element mass in the interstellar medium. This result is demonstrated to be essentially independent of outflow or inflow of interstellar material.     

Lyman α radiative transfer in a multiphase medium

Hydrogen Lyman α (Lyα) is our primary emission-line window into high-redshift galaxies. Despite an extensive literature, Lyα radiative transfer in the most realistic case of a dusty, multiphase medium has received surprisingly little detailed theoretical attention. We investigate Lyα resonant scattering through an ensemble of dusty, moving, optically thick gas clumps. We treat each clump as a scattering particle and use Monte Carlo simulations of surface scattering to quantify continuum and Lyα surface scattering angles, absorption probabilities, and frequency redistribution, as a function of the gas dust content. This atomistic approach speeds up the simulations by many orders of magnitude, making possible calculations which are otherwise intractable. Our fitting formulae can be readily adapted for fast radiative transfer in numerical simulations. With these surface scattering results, we develop an analytic framework for estimating escape fractions and line widths as a function of gas geometry, motion, and dust content. Our simple analytic model shows good agreement with full Monte Carlo simulations. We show that the key geometric parameter is the average number of surface scatters for escape in the absence of absorption,     , and we provide fitting formulae for several geometries of astrophysical interest. We consider the following two interesting applications. (i) Equivalent widths ( EWs ). Lyα can preferentially escape from a dusty multiphase interstellar medium if most of the dust lies in cold neutral clouds, which Lyα photons cannot penetrate. This might explain the anomalously high EWs sometimes seen in high-redshift/submillimetre sources. (ii) Multiphase galactic outflows . We show the characteristic profile is asymmetric with a broad red tail, and relate the profile features to the outflow speed and gas geometry. Many future applications are envisaged.     

Interstellar Dust in the Solar System

We deduce the mass distribution and total mass density of interstellar dust streaming into the solar system and compare the results to the conditions of the very local interstellar medium (VLISM). The mass distribution derived from in situ measurements shows a gentler slope and includes larger grains, compared to a model distribution proposed for the wavelength dependence of the interstellar extinction. The mass density of grains in the solar system is consistent with that expected from measurements of the visible interstellar extinction and the abundance constraints of elements in the diffuse interstellar medium (ISM), instead of those in the VLISM. This may imply that interstellar dust grains are not associated with the VLISM and that the conditions of the grains are better represented by the ones expected in the diffuse ISM. If this is the case, then the flatter slope in the mass distribution and the detection of larger interstellar grains in the solar system may even indicate that coagulation growth of dust in the diffuse ISM is more effective than previously inferred. This revised version was published online in July 2006 with corrections to the Cover Date.     

Probing the surfaces of interstellar dust grains: the adsorption of CO at bare grain surfaces

A solid-state feature was detected at around 2175 cm⁻¹ towards 30 embedded young stellar objects in spectra obtained using the Infrared Spectrometer and Array Camera at the European Southern Observatory Very Large Telescope. We present results from laboratory studies of CO adsorbed at the surface of zeolite wafers, where absorption bands were detected at 2177 and 2168 cm⁻¹ (corresponding to CO chemisorbed at the zeolite surface) and 2130 cm⁻¹ (corresponding to CO physisorbed at the zeolite surface), providing an excellent match to the observational data. We propose that the main carrier of the 2175-band is CO chemisorbed at bare surfaces of dust grains in the interstellar medium. This result provides the first direct evidence that gas–surface interactions do not have to result in the formation of ice mantles on interstellar dust. The strength of the 2175-band is estimated to be  ∼4 × 10⁻¹⁹ cm  molecule⁻¹. The abundance of CO adsorbed at bare grain surfaces ranges from 0.06 to 0.16 relative to H₂O ice, which is, at most, half of the abundance (relative to H₂O ice) of CO residing in H₂O-dominated ice environments. These findings imply that interstellar grains have a large (catalytically active) surface area, providing a refuge for interstellar species. Consequently, the potential exists for heterogeneous chemistry to occur involving CO molecules in unique surface chemistry pathways not currently considered in gas grain models of the interstellar medium.     

The Gas to Dust Ratio in Three Star Forming Regionstwo

Gas to Dust Ratio (GDR) indicates the mass ratio of interstellar gas to dust. It is widely adopted that the GDR in our Galaxy is 100～150. We choose three typical star forming regions to study the GDR: the Orion molecular cloud — a massive star forming region, the Taurus molecular cloud — a low-mass star forming region, and the Polaris molecular cloud — a region with no or very few star formation activities. The mass of gas only takes account of the neutral gas, i.e. only the atomic and molecular hydrogen, because the amount of ionized gas is very small in a molecular cloud. The column density of atomic hydrogen is taken from the high-resolution and high-sensitivity all-sky survey EBHIS (Effelsberg-Bonn HI Survey). The CO J = 1 →0 line is used to trace the molecular hydrogen, since the spectral lines of molecular hydrogen which can be detected are rare. The intensity of CO J = 1 →0 line is taken from the Planck all-sky survey. The mass of dust is traced by the interstellar extinction based on the 2MASS (Two Micron All Sky Survey) photometric database in the direction of anti-Galactic center. Adopting a constant conversion coefficient from the integrated intensity of the CO line to the column density of molecular hydrogen, X_CO = 2.0 × 10²⁰ cm^?2 · (K · km/s)^?1, the gas to dust ratio N(H)/A_V is calculated, which is 25, 38, and 55 (in units of 10²⁰ cm^?2 · mag^?1) for the Orion, Taurus, and Polaris molecular clouds, respectively. These values are significantly higher than the previously obtained average value of the Galaxy. Adopting the WD01 interstellar dust model (when the V-band selective extinction ratio is R_V = 3.1), the derived GDRs are 160, 243, and 354 for the Orion, Taurus, and Polaris molecular clouds, respectively, which are apparently higher than 100～150, the commonly accepted GDR of the diffuse interstellar medium. The high N(H)/A_V values in the star forming regions may be explained by the growth of dust in the molecular clouds because of either the particle collision or accretion, which can lead to the reduction of extinction efficiency per unit mass in the V band, rather than the increase of the GDR itself.     

Low‐energy helium ion irradiation‐induced amorphization and chemical changes in olivine: Insights for silicate dust evolution in the interstellar medium

Abstract— We present the results of irradiation experiments aimed at understanding the structural and chemical evolution of silicate grains in the interstellar medium. A series of He+ irradiation experiments have been performed on ultra‐thin olivine, (Mg,Fe)₂SiO₄, samples having a high surface/volume (S/V) ratio, comparable to the expected S/V ratio of interstellar dust. The energies and fluences of the helium ions used in this study have been chosen to simulate the irradiation of interstellar dust grains in supernovae shock waves. The samples were mainly studied using analytical transmission electron microscopy. Our results show that olivine is amorphized by low‐energy ion irradiation. Changes in composition are also observed. In particular, irradiation leads to a decrease of the atomic ratios O/Si and Mg/Si as determined by x‐ray photoelectron spectroscopy and by x‐ray energy dispersive spectroscopy. This chemical evolution is due to the differential sputtering of atoms near the surfaces. We also observe a reduction process resulting in the formation of metallic iron. The use of very thin samples emphasizes the role of surface/volume ratio and thus the importance of the particle size in the irradiation‐induced effects. These results allow us to account qualitatively for the observed properties of interstellar grains in different environments, that is, at different stages of their evolution: chemical and structural evolution in the interstellar medium, from olivine to pyroxene‐type and from crystalline to amorphous silicates, porosity of cometary grains as well as the formation of metallic inclusions in silicates.     

Optical Properties of C-rich(12C,SiC and FeC)Dust Layered Structure of Massive Stars

The composition and structure of interstellar dust are important and complex for the study of the evolution of stars and the interstellar medium(ISM).However,th...     

The effect of stellar feedback on the formation and evolution of gas and dust tori in AGN

Recently, the existence of geometrically thick dust structures in active galactic nuclei (AGN) has been directly proven with the help of interferometric methods in the mid-infrared. The observations are consistent with a two-component model made up of a geometrically thin and warm central disc, surrounded by a colder, fluffy torus component. Within the framework of an exploratory study, we investigate one possible physical mechanism, which could produce such a structure, namely the effect of stellar feedback from a young nuclear star cluster on the interstellar medium in centres of AGN. The model is realized by numerical simulations with the help of the hydrodynamics code tramp . We follow the evolution of the interstellar medium by taking discrete mass-loss and energy ejection due to stellar processes, as well as optically thin radiative cooling into account. In a post-processing step, we calculate observable quantities like spectral energy distributions (SEDs) and surface brightness distributions with the help of the radiative transfer code mc3d . The interplay between injection of mass, supernova explosions and radiative cooling leads to a two-component structure made up of a cold geometrically thin, but optically thick and very turbulent disc residing in the vicinity of the angular momentum barrier, surrounded by a filamentary structure. The latter consists of cold long radial filaments flowing towards the disc and a hot tenuous medium in between, which shows both inwards and outwards directed motions. With the help of this modelling, we are able to reproduce the range of observed neutral hydrogen column densities of a sample of Seyfert galaxies as well as the relation between them and the strength of the silicate 10 μm spectral feature. Despite being quite crude, our mean Seyfert galaxy model is even able to describe the SEDs of two intermediate type Seyfert galaxies observed with the Spitzer Space Telescope .     

All comets are born equal: infrared emission by dust as a key to comet nucleus composition

The infrared emission of various comets can be matched within the framework that all comets are made of aggregated interstellar dust. This is demonstrated by comparing results on Halley (a periodic comet), Borrelly (a Jupiter family short period comet), Hale-Bopp (a long period comet), and extra-solar comets in the β Pictoris disk. Attempts have been made to generalize the chemical composition of comet nuclei based on the observation of cometary dust and volatiles and the interstellar dust model. Finally, we deduce some of the expected dust and surface properties of comet Wirtanen from the interstellar dust model as applied to other comets.     

Cosmic Ray-Induced Polycondensate Hydrocarbons in Giant Molecular Clouds

Astrophysical and cosmochemical data show that many kinds of hydrocarbons are widespread in space, including giant molecular clouds, diffuse interstellar medium, comets, interplanetary dust particles, and carbonaceous meteorites. Here an effort is made to show the close relation between high-molecular weight hydrocarbons observed in space and existing on Earth. Results of astrochemical modelling of dust grains in dense collapsing cores of giant molecular clouds are also presented. They show that about 10% of the total abundance of dust grains may be the result of aliphatic hydrocarbons. This dust serves as initial material for comets, formed in protosolar nebula. The problem of survival of cometary organics during impact onto the Earth is discussed, and it is shown that the so-called soft-landing comet hypothesis may explain the accumulation of complex hydrocarbons on the Earth's surface. We conclude that a significant fraction of terrestrial prebiotic petroleum was delivered by extraterrestrial matter.     

银盘外区的翘曲结构

银盘外区存在翘曲结构和近边增厚现象已是不争的观测事实.自20世纪50年代通过中性氢的射电观测发现此类结构以来,对不同示踪天体(包括各类星族1天体、分子云、星际尘埃、老年恒星等)的观测都确认了这一重要发现.关于翘曲结构已提出若干形成机制,但尚未达成共识.     

Origin of the diffuse interstellar absorption bands

The influence of crystal structure and surface stresses on the spectrum of small interstellar particles has been investigated. Surface effects are predicted to result in the occurrence of pairs of features in the discrete absorption spectrum of interstellar dust. A simple relationship between the energy separation between lines of these pairs and their widths is derived which is tested against recent observational data on the diffuse interstellar band spectrum. Thirty of the diffuse bands can be accounted for on this basis by assuming that interstellar dust consists of a mixture of components of differing chemical composition.     

2002 Kuiper prize lecture: Dust Astronomy

Dust particles, like photons, carry information from remote sites in space and time. From knowledge of the dust particles' birthplace and their bulk properties, we can learn about the remote environment out of which the particles were formed. This approach is called “Dust Astronomy” which is carried out by means of a dust telescope on a Dust Observatory in space. Targets for a dust telescope are the local interstellar medium and nearby star forming regions, as well as comets and asteroids. Dust from interstellar and interplanetary sources is distinguished by accurately sensing their trajectories. Trajectory sensors may use the electric charge signals that are induced when charged grains fly through the detector. Modern in-situ dust impact detectors are capable of providing mass, speed, physical and chemical information of dust grains in space. A Dust Observatory mission is feasible with state-of-the-art technology. It will (1) provide the distinction between interstellar dust and interplanetary dust of cometary and asteroidal origin, (2) determine the elemental composition of impacting dust particles, and (3) monitor the fluxes of various dust components as a function of direction and particle masses.