arXiv subjects

T. Grassi

Publications and source records attributed to T. Grassi.

At least 37 records · Page 2Linked to original sources

arXiv2019

Broadband spectroscopy of astrophysical ice analogs. I. Direct measurement of complex refractive index of CO ice using terahertz time-domain spectroscopy

Context: Reliable, directly measured optical properties of astrophysical ice analogs in the infrared (IR) and terahertz (THz) range are missing. These parameters are of great importance to model the dust continuum radiative transfer in dense and cold regions, here thick ice mantles are present, and are necessary for the interpretation of future observations planned in the far-IR region. Aims: Coherent THz radiation allows direct measurement of the complex dielectric function (refractive index) of astrophysically relevant ice species in the THz range. Methods: The time-domain waveforms and the frequency-domain spectra of reference samples of CO ice, deposited at a temperature of 28.5 K and annealed to 33 K at different thicknesses, have been recorded. A new algorithm is developed to reconstruct the real and imaginary parts of the refractive index from the time-domain THz data. Results: The complex refractive index in the wavelength range of 1 mm - 150 $μ$m (0.3 - 2.0 THz) has been determined for the studied ice samples, and compared with available data found in the literature. Conclusions: The developed algorithm of reconstructing the real and imaginary parts of the refractive index from the time-domain THz data enables, for the first time, the determination of optical properties of astrophysical ice analogs without using the Kramers-Kronig relations. The obtained data provide a benchmark to interpret the observational data from current ground based facilities as well as future space telescope missions, and have been used to estimate the opacities of the dust grains in presence of CO ice mantles.

astro-ph.IM↗

arXiv2019

The challenges of modelling microphysics: ambipolar diffusion, chemistry, and cosmic rays in MHD shocks

From molecular clouds to protoplanetary disks, non-ideal magnetic effects are important in many astrophysical environments. Indeed, in star and disk formation processes, it has become clear that these effects are critical to the evolution of the system. The efficacy of non-ideal effects are, however, determined by the complex interplay between magnetic fields, ionising radiation, cosmic rays, microphysics, and chemistry. In order to understand these key microphysical parameters, we present a one-dimensional non-ideal magnetohydrodynamics code and apply it to a model of a time-dependent, oblique, magnetic shock wave. By varying the microphysical ingredients of the model, we find that cosmic rays and dust play a major role, and that, despite the uncertainties, the inclusion of microphysics is essential to obtain a realistic outcome in magnetic astrophysical simulations.

astro-ph.GA↗

arXiv2016

A detailed framework to incorporate dust in hydrodynamical simulations

Dust plays a key role in the evolution of the ISM and its correct modelling in numerical simulations is therefore fundamental. We present a new and self-consistent model that treats grain thermal coupling with the gas, radiation balance, and surface chemistry for molecular hydrogen. This method can be applied to any dust distribution with an arbitrary number of grain types without affecting the overall computational cost. In this paper we describe in detail the physics and the algorithm behind our approach, and in order to test the methodology, we present some examples of astrophysical interest, namely (i) a one-zone collapse with complete gas chemistry and thermochemical processes, (ii) a 3D model of a low-metallicity collapse of a minihalo starting from cosmological initial conditions, and (iii) a turbulent molecular cloud with H-C-O chemistry (277 reactions), together with self-consistent cooling and heating solved on the fly. Although these examples employ the publicly available code KROME, our approach can be easily integrated into any computational framework.

astro-ph.GA↗

arXiv2016

The formation of the primitive star SDSS J102915+172927: effect of the dust mass and the grain-size distribution

Understanding the formation of the extremely metal poor star SDSS-J102915+172927 is of fundamental importance to improve our knowledge on the transition between the first and second generation of stars in the Universe. In this paper, we perform three-dimensional cosmological hydrodynamical simulations of dust-enriched halos during the early stages of the collapse process including a detailed treatment of the dust physics. We employ the astrochemistry package \krome coupled with the hydrodynamical code \textsc{enzo} assuming grain size distributions produced by the explosion of core-collapse supernovae of 20 and 35 M$_\odot$ primordial stars which are suitable to reproduce the chemical pattern of the SDSS-J102915+172927 star. We find that the dust mass yield produced from Population III supernovae explosions is the most important factor which drives the thermal evolution and the dynamical properties of the halos. Hence, for the specific distributions relevant in this context, the composition, the dust optical properties, and the size-range have only minor effects on the results due to similar cooling functions. We also show that the critical dust mass to enable fragmentation provided by semi-analytical models should be revised, as we obtain values one order of magnitude larger. This determines the transition from disk fragmentation to a more filamentary fragmentation mode, and suggests that likely more than one single supernova event or efficient dust growth should be invoked to get such a high dust content.

astro-ph.GA↗

arXiv2016

Modeling the role of electron attachment rates on column density ratios for CnH-/CnH (n=4,6,8) in dense molecular clouds

(abridged) The fairly recent detection of a variety of anions in the Interstellar Molecular Clouds have underlined the importance of realistically modeling the processes governing their abundance. To this aim, our earlier calculations for the radiative electron attachment (REA) rates for C4H-, C6H-, and C8H- are employed to generate the corresponding column density ratios of anion/neutral (A/N) relative abundances. The latter are then compared with those obtained from observational measurements. The calculations involved the time-dependent solutions of a large network of chemical processes over an extended time interval and included a series of runs in which the values of REA rates were repeatedly scaled. Macroscopic parameters for the clouds' modeling were also varied to cover a broad range of physical environments. It was found that, within the range and quality of the processes included in the present network,and selected from state-of-the-art astrophysical databases, the REA values required to match the observed A/N ratios needed to be reduced by orders of magnitude for C4H- case, while the same rates for C6H- and C8H- only needed to be scaled by much smaller factors. The results suggest that the generally proposed formation of interstellar anions by REA mechanism is overestimated by current models for the C4H- case, for which is likely to be an inefficient path to formation. This path is thus providing a rather marginal contribution to the observed abundances of C4H-, the latter being more likely to originate from other chemical processes in the network, as we discuss in some detail in the present work.Possible physical reasons for the much smaller differences against observations found instead for the values of the (A/N) ratios in two other, longer members of the series are put forward and analyzed within the evolutionary modeling discussed in the present work.

astro-ph.GA↗

arXiv2014

How realistic UV spectra and X-rays suppress the abundance of direct collapse black holes

Observations of high redshift quasars at $z>6$ indicate that they harbor supermassive black holes (SMBHs) of a billion solar masses. The direct collapse scenario has emerged as the most plausible way to assemble SMBHs. The nurseries for the direct collapse black holes are massive primordial halos illuminated with an intense UV flux emitted by population II (Pop II) stars. In this study, we compute the critical value of such a flux ($J_{21}^{\rm crit}$) for realistic spectra of Pop II stars through three-dimensional cosmological simulations. We derive the dependence of $J_{21}^{\rm crit}$ on the radiation spectra, on variations from halo to halo, and on the impact of X-ray ionization. Our findings show that the value of $J_{21}^{\rm crit}$ is a few times $\rm 10^4$ and only weakly depends on the adopted radiation spectra in the range between $T_{\rm rad}=2 \times 10^4-10^5$ K. For three simulated halos of a few times $\rm 10^{7}$~M$_{\odot}$, $J_{21}^{\rm crit}$ varies from $\rm 2 \times 10^4 - 5 \times 10^4$. The impact of X-ray ionization is almost negligible and within the expected scatter of $J_{21}^{\rm crit}$ for background fluxes of $J_{\rm X,21} \leq 0.1$. The computed estimates of $J_{21}^{\rm crit}$ have profound implications for the quasar abundance at $z=10$ as it lowers the number density of black holes forming through an isothermal direct collapse by a few orders of magnitude below the observed black holes density. However, the sites with moderate amounts of $\rm H_2$ cooling may still form massive objects sufficient to be compatible with observations.

astro-ph.GA↗

arXiv2014

Effects of turbulence and rotation on protostar formation as a precursor to seed black holes

Context. The seeds of the first supermassive black holes may have resulted from the direct collapse of hot primordial gas in $\gtrsim 10^4$ K haloes, forming a supermassive or quasistar as an intermediate stage. Aims. We explore the formation of a protostar resulting from the collapse of primordial gas in the presence of a strong Lyman-Werner radiation background. Particularly, we investigate the impact of turbulence and rotation on the fragmentation behaviour of the gas cloud. We accomplish this goal by varying the initial turbulent and rotational velocities. Methods. We performed 3D adaptive mesh refinement simulations with a resolution of 64 cells per Jeans length using the ENZO code, simulating the formation of a protostar up to unprecedentedly high central densities of $10^{21}$ cm$^{-3}$, and spatial scales of a few solar radii. To achieve this goal, we employed the KROME package to improve modelling of the chemical and thermal processes. Results. We find that the physical properties of the simulated gas clouds become similar on small scales, irrespective of the initial amount of turbulence and rotation. After the highest level of refinement was reached, the simulations have been evolved for an additional ~5 freefall times. A single bound clump with a radius of $2 \times 10^{-2}$ AU and a mass of ~$7 \times 10^{-2}$ M$_{\odot}$ is formed at the end of each simulation, marking the onset of protostar formation. No strong fragmentation is observed by the end of the simulations, regardless of the initial amount of turbulence or rotation, and high accretion rates of a few solar masses per year are found. Conclusions. Given such high accretion rates, a quasistar of $10^5$ M$_{\odot}$ is expected to form within $10^5$ years.

astro-ph.GA↗

arXiv2014

A UV flux constraint on the formation of direct collapse black holes

The ability of metal free gas to cool by molecular hydrogen in primordial halos is strongly associated with the strength of ultraviolet (UV) flux produced by the stellar populations in the first galaxies. Depending on the stellar spectrum, these UV photons can either dissociate $\rm H_{2}$ molecules directly or indirectly by photo-detachment of $\rm H^{-}$ as the latter provides the main pathway for $\rm H_{2}$ formation in the early universe. In this study, we aim to determine the critical strength of the UV flux above which the formation of molecular hydrogen remains suppressed for a sample of five distinct halos at $z>10$ by employing a higher order chemical solver and a Jeans resolution of 32 cells. We presume that such flux is emitted by PopII stars implying atmospheric temperatures of $\rm 10^{4}$~K. We performed three-dimensional cosmological simulations and varied the strength of the UV flux below the Lyman limit in units of $\rm J_{21}$. Our findings show that the value of $\rm J_{21}^{crit}$ varies from halo to halo and is sensitive to the local thermal conditions of the gas. For the simulated halos it varies from 400-700 with the exception of one halo where $\rm J_{21}^{crit} \geq 1500$. This has important implications for the formation of direct collapse black holes and their estimated population at z > 6. It reduces the number density of direct collapse black holes by almost three orders of magnitude compared to the previous estimates.

astro-ph.GA↗

arXiv2014

Formation of carbon-enhanced metal-poor stars in the presence of far ultraviolet radiation

Recent discoveries of carbon-enhanced metal-poor stars like SMSS J031300.36-670839.3 provide increasing observational insights into the formation conditions of the first second-generation stars in the Universe, reflecting the chemical conditions after the first supernova explosion. Here, we present the first cosmological simulations with a detailed chemical network including primordial species as well as C, C$^+$, O, O$^+$, Si, Si$^+$, and Si$^{2+}$ following the formation of carbon-enhanced metal poor stars. The presence of background UV flux delays the collapse from $z=21$ to $z=15$ and cool the gas down to the CMB temperature for a metallicity of Z/Z$_\odot$=10$^{-3}$. This can potentially lead to the formation of lower mass stars. Overall, we find that the metals have a stronger effect on the collapse than the radiation, yielding a comparable thermal structure for large variations in the radiative background. We further find that radiative backgrounds are not able to delay the collapse for Z/Z$_\odot$=10$^{-2}$ or a carbon abundance as in SMSS J031300.36-670839.3.

astro-ph.SR↗

arXiv2014

The formation of massive primordial stars in the presence of moderate UV backgrounds

Radiative feedback from populations II stars played a vital role in early structure formation. Particularly, photons below the Lyman limit can escape the star forming regions and produce a background ultraviolet (UV) flux which consequently may influence the pristine halos far away from the radiation sources. These photons can quench the formation of molecular hydrogen by photo-detachment of $\rm H^{-}$. In this study, we explore the impact of such UV radiation on fragmentation in massive primordial halos of a few times $\rm 10^{7}$~M${_\odot}$. To accomplish this goal, we perform high resolution cosmological simulations for two distinct halos and vary the strength of the impinging background UV field in units of $\rm J_{21}$. We further make use of sink particles to follow the evolution for 10,000 years after reaching the maximum refinement level. No vigorous fragmentation is observed in UV illuminated halos while the accretion rate changes according to the thermal properties. Our findings show that a few 100-10, 000 solar mass protostars are formed when halos are irradiated by $\rm J_{21}=10-500$ at $\rm z>10$ and suggest a strong relation between the strength of UV flux and mass of a protostar. This mode of star formation is quite different from minihalos, as higher accretion rates of about $\rm 0.01-0.1$ M$_{\odot}$/yr are observed by the end of our simulations. The resulting massive stars are the potential cradles for the formation of intermediate mass black holes at earlier cosmic times and contribute to the formation of a global X-ray background.

astro-ph.GA↗

arXiv2014

Dark-matter halo mergers as a fertile environment for low-mass Population III star formation

While Population III stars are typically thought to be massive, pathways towards lower-mass Pop III stars may exist when the cooling of the gas is particularly enhanced. A possible route is enhanced HD cooling during the merging of dark-matter halos. The mergers can lead to a high ionization degree catalysing the formation of HD molecules and may cool the gas down to the cosmic microwave background (CMB) temperature. In this paper, we investigate the merging of mini-halos with masses of a few 10$^5$ M$_\odot$ and explore the feasibility of this scenario. We have performed three-dimensional cosmological hydrodynamics calculations with the ENZO code, solving the thermal and chemical evolution of the gas by employing the astrochemistry package KROME. Our results show that the HD abundance is increased by two orders of magnitude compared to the no-merging case and the halo cools down to $\sim$60 K triggering fragmentation. Based on Jeans estimates the expected stellar masses are about 10 M$_\odot$. Our findings show that the merging scenario is a potential pathway for the formation of low-mass stars.

astro-ph.GA↗

arXiv2014

KROME - a package to embed chemistry in astrophysical simulations

Chemistry plays a key role in many astrophysical situations regulating the cooling and the thermal properties of the gas, which are relevant during gravitational collapse, the evolution of disks and the fragmentation process. In order to simplify the usage of chemical networks in large numerical simulations, we present the chemistry package KROME, consisting of a Python pre-processor which generates a subroutine for the solution of chemical networks which can be embedded in any numerical code. For the solution of the rate equations, we make use of the high-order solver DLSODES, which was shown to be both accurate and efficient for sparse networks, which are typical in astrophysical applications. KROME also provides a large set of physical processes connected to chemistry, including photochemistry, cooling, heating, dust treatment, and reverse kinetics. The package presented here already contains a network for primordial chemistry, a small metal network appropriate for the modelling of low metallicities environments, a detailed network for the modelling of molecular clouds, a network for planetary atmospheres, as well as a framework for the modelling of the dust grain population. In this paper, we present an extended test suite ranging from one-zone and 1D-models to first applications including cosmological simulations with ENZO and RAMSES and 3D collapse simulations with the FLASH code. The package presented here is publicly available at http://kromepackage.org/ and https://bitbucket.org/krome/krome_stable

astro-ph.GA↗

arXiv2013

CH+ depletion by atomic hydrogen: accuracy of new rates in photo-dominated and self-shielded environments

A detailed quantum analysis of a ionic reaction with a crucial role in the ISM is carried out to generate ab initio reactive cross sections with a quantum method. From them we obtain the corresponding CH+ depletion rates over a broad range of temperatures. The new rates are further linked to a complex chemical network that shows the evolution in time of the CH+ abundance in photodissociation region (PDR) and molecular cloud (MC) environments. The evolutionary abundances of CH+ are given by numerical solutions of a large set of coupled, first-order kinetics equations by employing the new chemical package KROME. The differences found between all existing calculations from low-T experiments are explained via a simple numerical model that links the low-T cross section reductions to collinear approaches where nonadiabatic crossings dominate. The analysis of evolutionary abundance of CH+ reveals that the important region for the depletion reaction of this study is that above 100 K, hence showing that, at least for this reaction, the differences with the existing low-temperature experiments are of essentially no importance within the astrochemical environments. A detailed analysis of the chemical network involving CH+ also shows that a slight decrease in the initial oxygen abundance might lead to higher CH+ abundance since the main chemical carbon ion depletion channel is reduced in efficiency. This simplified observation might provide an alternative starting point to understand the problem of astrochemical models in matching the observed CH+ abundances.

astro-ph.GA↗

arXiv2013

Primordial star formation: relative impact of H2 three-body rates and initial conditions

Population III stars are the first stars in the Universe to form at z=20-30 out of a pure hydrogen and helium gas in minihalos of 10^5-10^6 M$_\odot$ . Cooling and fragmentation is thus regulated via molecular hydrogen. At densities above 10^8 cm$^{-3}$, the three-body H2 formation rates are particularly important for making the gas fully molecular. These rates were considered to be uncertain by at least a few orders of magnitude. We explore the impact of new accurate three-body H2 formation rates derived by Forrey (2013) for three different minihalos, and compare to the results obtained with three-body rates employed in previous studies. The calculations are performed with the cosmological hydrodynamics code ENZO (release 2.2) coupled with the chemistry package KROME (including a network for primordial chemistry), which was previously shown to be accurate in high resolution simulations. While the new rates can shift the point where the gas becomes fully molecular, leading to a different thermal evolution, there is no trivial trend in how this occurs. While one might naively expect the results to be inbetween the calculations based on Palla et al. (1983) and Abel et al. (2002), the behavior can be close to the former or the latter depending on the dark matter halo that is explored. We conclude that employing the correct three-body rates is about as equally important as the use of appropriate initial conditions, and that the resulting thermal evolution needs to be calculated for every halo individually.

astro-ph.CO↗

arXiv2013

Impact of an accurate modeling of primordial chemistry in high resolution studies

The formation of the first stars in the Universe is regulated by a sensitive interplay of chemistry and cooling with the dynamics of a self-gravitating system. As the outcome of the collapse and the final stellar masses depend sensitively on the thermal evolution, it is necessary to accurately model the thermal evolution in high resolution simulations. As previous investigations raised doubts regarding the convergence of the temperature at high resolution, we investigate the role of the numerical method employed to model the chemistry and the thermodynamics. Here we compare the standard implementation in the adaptive-mesh refinement code \verb|ENZO|, employing a first order backward differentiation formula (BDF), with the 5th order accurate BDF solver \verb|DLSODES|. While the standard implementation in \verb|ENZO| shows a strong dependence on the employed resolution, the results obtained with \verb|DLSODES| are considerably more robust, both with respect to the chemistry and thermodynamics, but also for dynamical quantities such as density, total energy or the accretion rate. We conclude that an accurate modeling of the chemistry and thermodynamics is central for primordial star formation.

astro-ph.CO↗

arXiv2013

Chemical complexity in astrophysical simulations: optimization and reduction techniques

Chemistry has a key role in the evolution of the interstellar medium (ISM), so it is highly desirable to follow its evolution in numerical simulations. However, it may easily dominate the computational cost when applied to large systems. In this paper we discuss two approaches to reduce these costs: (i) based on computational strategies, and (ii) based on the properties and on the topology of the chemical network. The first methods are more robust, while the second are meant to be giving important information on the structure of large, complex networks. To this aim we first discuss the numerical solvers for integrating the system of ordinary differential equations (ODE) associated with the chemical network. We then propose a buffer method that decreases the computational time spent in solving the ODE system. We further discuss a flux-based method that allows one to determine and then cut on the fly the less active reactions. In addition we also present a topological approach for selecting the most probable species that will be active during the chemical evolution, thus gaining information on the chemical network that otherwise would be difficult to retrieve. This topological technique can also be used as an a priori reduction method for any size network. We implemented these methods into a 1D Lagrangian hydrodynamical code to test their effects: both classes lead to large computational speed-ups, ranging from x2 to x5. We have also tested some hybrid approaches finding that coupling the flux method with a buffer strategy gives the best trade-off between robustness and speed-up of calculations.

astro-ph.IM↗

arXiv2012

Electron attachment rates for PAH anions in the ISM and dark molecular clouds: dependence on their chemical properties

CONTEXT: The attachment of free electrons to polycondensed aromatic ring molecules (PAHs) is studied for the variety of these molecules with different numbers of condensed rings and over a broad range of electron temperatures, using a multichannel quantum scattering approach. The calculations of the relevant cross sections are used in turn to model the corresponding attachment rates for each of the systems under study, and these rates are parametrized as a function of temperature using a commonly employed expression for two-body processes in the interstellar medium (ISM). AIM: The scope of this work is to use first principles to establish the influence of chemical properties on the efficiency of the electron-attachment process for PAHs. METHODS: Quantum multichannel scattering methods are employed to generate the relevant cross sections, hence the attachment rates, using integral elastic cross sections computed over a broad range of relevant energies, from threshold up to 1000 K and linking the attachment to low-energy resonant collisions. RESULTS: The rates obtained for the present molecules are found to markedly vary within the test ensemble of the present work and to be lower than the earlier values used for the entire class of PAHs anions, when modelling their evolutions in ISM environments. The effects of such differences on the evolutions of chemical networks that include both PAH and PAH- species are analysed in some detail and related to previous calculations.

astro-ph.GA↗

arXiv2012

Carbon Cations and Silicon Atoms in the ISM: modeling their charge exchange reaction

The time-dependent rate coefficients for the charge exchange reaction C+ + Si -> C + Si+ for doublet and quartet states have been determined with ab initio quantum calculations coupled with a non-adiabatic transition model based on a simple Landau-Zener picture. This reaction plays a key role in determining the abundances of C, Si, and their ions, in the ISM since these abundances affect the fine structure cooling and hence the star formation rates. We also provide additional calculations to evaluate the differences between the gas evolution as obtained by using the empirical rate estimates found in the current literature and the calculations presented in this work which are based on our more realistic evaluation of such rates from ab initio transition probabilities . We shall thus show here that the new rates yield important differences for metal-rich environments where $T<10^4$ K and the UV flux is almost negligible, while becoming less important at higher T values and higher photon fluxes.

astro-ph.GA↗