arXiv subjects

Tommaso Grassi

Publications and source records attributed to Tommaso Grassi.

28 records · Page 2Linked to original sources

arXiv2021

Modelling H$_2$ and its effects on star formation using a joint implementation of GADGET-3 and KROME

We present P-GADGET3-K, an updated version of GADGET3, that incorporates the chemistry package KROME. P-GADGET3-K follows the hydrodynamical and chemical evolution of cosmic structures, incorporating the chemistry and cooling of H$_2$ and metal cooling in non-equilibrium. We performed different runs of the same ICs to assess the impact of various physical parameters and prescriptions, namely gas metallicity, molecular hydrogen formation on dust, star formation recipes including or not H$_2$ dependence, and the effects of numerical resolution. We find that the characteristics of the simulated systems, both globally and at kpc-scales, are in good agreement with several observable properties of molecular gas in star-forming galaxies. The surface density profiles of SFR and H$_2$ are found to vary with the clumping factor and resolution. In agreement with previous results, the chemical enrichment of the gas component is found to be a key ingredient to model the formation and distribution of H$_2$ as a function of gas density and temperature. A SF algorithm that takes into account the H$_2$ fraction together with a treatment for the local stellar radiation field improves the agreement with observed H$_2$ abundances over a wide range of gas densities and with the molecular Kennicutt-Schmidt law, implying a more realistic modelling of the star formation process.

astro-ph.GA↗

arXiv2020

High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride

The knowledge of the binding energy of molecules on astrophysically relevant ices can help to obtain an estimate of the desorption rate, i.e. the molecules residence time on the surface. This represents an important parameter for astrochemical models, crucial to determine the chemical fate of complex organic molecules formed on dust grains and observed in the densest regions of the interstellar medium. In this work, we propose a new robust procedure to study the interaction of atoms and molecules with interstellar ices, based on \textit{ab initio} molecular dynamics and density functional theory, validated by high-level \textit{ab initio} methods at a CCSD(T)/CBS level. We have applied this procedure to hydrogen fluoride (HF), a promising tracer of the molecular content of galaxies. In total we found 13 unique equilibrium structures of HF binding to small water clusters of up to 4 molecules, with binding energies ranging from 1208 to 7162 K. We computed a 22-molecules model of amorphous solid water (ASW) surface using \textit{ab initio} molecular dynamics simulations and carried out a systematic analysis of the binding sites of HF, in terms of binding modes and binding energies. Considering 10 different water clusters, we found a binding energy distribution with an average value of $5313\pm74$ K, and a dispersion of $921\pm115$ K. Finally, the effect of the electrostatic field of the 22 water molecules on the binding energies was investigated incrementally by symmetry adapted perturbation theory, in order to gauge the effect of the water environment. The results indicate that the extent of the electrostatic interaction of HF with ASW depends strongly on the properties of the binding site. We expect that this work will provide a solid foundation for a systematic development of a binding energy distribution database of molecules on interstellar surfaces.

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arXiv2018

Lampray: Multi-group long characteristics ray tracing for adaptive mesh radiation hydrodynamics

We present Lampray: a multi-group long characteristics ray tracing method for adaptive mesh radiation hydrodynamics in the Ramses code. It avoids diffusion, captures shadows, and treats colliding beams correctly, and therefore complements existing moment-based ray tracing in Ramses. Lampray includes different options for interpolation between ray and cell domain, and use either integral, Fourier, or an implicit method for hydrogen ionization to solve the radiative transfer. The opacity can either be tabulated or computed through a coupling to the general non-equilibrium astro-chemistry framework Krome. We use an H-He-C-O network with 36 species and 240 reactions to track the photo-chemistry in the interstellar medium across 6 and 10 orders of magnitude in temperature and density. Self-shielding prescriptions for H$_2$ and CO are used together with a new model for the diffuse interstellar UV-field. We also track the dust temperature, formation of H$_2$ on grains, and H$_2$O and CO ices in detail. Lampray is tested against standard benchmarks for molecular cloud and star formation simulations, including the formation of a Strömgren sphere, the expansion of an ionization front, the photo-evaporation of a dense clump, and the H-He-C-O chemistry in a static photo-dissociation front. Efficient parallelisation is achieved with a separate domain decomposition for rays where points along a ray reside in the same memory space, and data movement from cell- to ray-domain is done with a direct hash-table lookup algorithm. Point sources are treated without splitting rays, and therefore the method currently only scales to a few point sources, while diffuse radiation has excellent scaling.

astro-ph.SR↗

arXiv2018

The effect of non-equilibrium metal cooling on the interstellar medium

By using a novel interface between the modern smoothed particle hydrodynamics code GASOLINE2 and the chemistry package KROME, we follow the hydrodynamical and chemical evolution of an isolated galaxy. In order to assess the relevance of different physical parameters and prescriptions, we constructed a suite of ten simulations, in which we vary the chemical network (primordial and metal species), how metal cooling is modelled (non-equilibrium versus equilibrium; optically thin versus thick approximation), the initial gas metallicity (from ten to hundred per cent solar), and how molecular hydrogen forms on dust. This is the first work in which metal injection from supernovae, turbulent metal diffusion, and a metal network with non-equilibrium metal cooling are self-consistently included in a galaxy simulation. We find that properly modelling the chemical evolution of several metal species and the corresponding non-equilibrium metal cooling has important effects on the thermodynamics of the gas, the chemical abundances, and the appearance of the galaxy: the gas is typically warmer, has a larger molecular gas mass fraction, and has a smoother disc. We also conclude that, at relatively high metallicity, the choice of molecular-hydrogen formation rates on dust is not crucial. Moreover, we confirm that a higher initial metallicity produces a colder gas and a larger fraction of molecular gas, with the low-metallicity simulation best matching the observed molecular Kennicutt-Schmidt relation. Finally, our simulations agree quite well with observations which link star formation rate to metal emission lines.

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arXiv2017

H$_2$ ortho-to-para conversion on grains: A route to fast deuterium fractionation in dense cloud cores?

Deuterium fractionation, i.e. the enhancement of deuterated species with respect to the non-deuterated ones, is considered to be a reliable chemical clock of star-forming regions. This process is strongly affected by the ortho-to-para (o-p) H$_2$ ratio. In this letter we explore the effect of the o-p H$_2$ conversion on grains on the deuteration timescale in fully depleted dense cores, including the most relevant uncertainties that affect this complex process. We show that (i) the o-p H$_2$ conversion on grains is not strongly influenced by the uncertainties on the conversion time and the sticking coefficient and (ii) that the process is controlled by the temperature and the residence time of ortho-H$_2$ on the surface, i.e. by the binding energy. We find that for binding energies in between 330-550 K, depending on the temperature, the o-p H$_2$ conversion on grains can shorten the deuterium fractionation timescale by orders of magnitude, opening a new route to explain the large observed deuteration fraction $D_\mathrm{frac}$ in dense molecular cloud cores. Our results suggest that the star formation timescale, when estimated through the timescale to reach the observed deuteration fractions, might be shorter than previously proposed. However, more accurate measurements of the binding energy are needed to better assess the overall role of this process.

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arXiv2017

Astrochemistry: From primordial gas to present-day clouds

Astrochemistry plays a central role during the process of star formation, both in the primordial regime as well as in the present-day Universe. We revisit here the chemistry in both regimes, focusing first on the chemistry under close to primordial conditions, as observed in the so-called Caffau star SDSS J102915+172927, and subsequently discuss deuteration processes in present-day star-forming cores. In models of the high-redshift Universe, the chemistry is particularly relevant to determine the cooling, while it also serves as an important diagnostic in the case of present-day star formation.

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arXiv2016

A chemical model for the interstellar medium in galaxies

We present and test chemical models for three-dimensional hydrodynamical simulations of galaxies. We explore the effect of changing key parameters such as metallicity, radiation and non-equilibrium versus equilibrium metal cooling approximations on the transition between the gas phases in the interstellar medium. The microphysics is modelled by employing the public chemistry package KROME and the chemical networks have been tested to work in a wide range of densities and temperatures. We describe a simple H/He network following the formation of H$_2$, and a more sophisticated network which includes metals. Photochemistry, thermal processes, and different prescriptions for the H$_2$ catalysis on dust are presented and tested within a one-zone framework. The resulting network is made publicly available on the KROME webpage. We find that employing an accurate treatment of the dust-related processes induces a faster HI--H$_2$ transition. In addition, we show when the equilibrium assumption for metal cooling holds, and how a non-equilibrium approach affects the thermal evolution of the gas and the HII--HI transition. These models can be employed in any hydrodynamical code via an interface to KROME and can be applied to different problems including isolated galaxies, cosmological simulations of galaxy formation and evolution, supernova explosions in molecular clouds, and the modelling of star-forming regions. The metal network can be used for a comparison with observational data of CII 158 $μ$m emission both for high-redshift as well as for local galaxies.

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arXiv2015

The chemical evolution of self-gravitating primordial disks

Numerical simulations show the formation of self-gravitating primordial disks during the assembly of the first structures in the Universe, in particular during the formation of Pop.~III and supermassive stars. Their subsequent evolution is expected to be crucial to determine the mass scale of the first cosmological objects, which depends on the temperature of the gas and the dominant cooling mechanism. Here, we derive a one-zone framework to explore the chemical evolution of such disks and show that viscous heating leads to the collisional dissociation of an initially molecular gas. The effect is relevant on scales of 10 AU (1000 AU) for a central mass of 10 M_sun (10^4 M_sun) at an accretion rate of 10^{-1} M_sun yr^{-1}, and provides a substantial heat input to stabilize the disk. If the gas is initially atomic, it remains atomic during the further evolution, and the effect of viscous heating is less significant. The additional thermal support is particularly relevant for the formation of very massive objects, such as the progenitors of the first supermassive black holes. The stabilizing impact of viscous heating thus alleviates the need for a strong radiation background as a means of keeping the gas atomic.

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arXiv2012

Formation and Evolution of Early-Type Galaxies. III Star formation history as a function of mass and over-density

We investigate the influence of the initial proto-galaxies over-densities and masses on their evolution, to understand whether the internal properties of the proto-galactic haloes are sufficient to account for the varied properties of the galactic populations. By means of fully hydrodynamical N-body simulations performed with the code EvoL we produce twelve self-similar models of early-type galaxies of different initial masses and over-densities, following their evolution from z \geq 20 down to z \leq 1. The simulations include radiative cooling, star formation, stellar energy feedback, a reionizing photoheating background, and chemical enrichment of the ISM. We find a strong correlation between the initial properties of the proto-haloes and their star formation histories. Massive (10^13M\odot) haloes experience a single, intense burst of star formation (with rates \geq 10^3M\odot/yr) at early epochs, consistently with observations, with a less pronounced dependence on the initial over-density; intermediate mass (10^11M\odot) haloes histories strongly depend on their initial over-density, whereas small (10^9M\odot) haloes always have fragmented histories, resulting in multiple stellar populations, due to the "galactic breathing" phenomenon. The galaxy models have morphological, structural and photometric properties comparable to real galaxies, often closely matching the observed data; even though some disagreement is still there, likely a consequence of some numerical choices. We conclude that internal properties are essentially sufficient to explain many of the observed features of early type galaxies, particularly the complicated and different star formation histories shown by haloes of very different mass. In this picture, nature seems to play the dominant role, whereas nurture has a secondary importance.

astro-ph.CO↗

arXiv2009

EvoL: The new Padova T-SPH parallel code for cosmological simulations - I. Basic code: gravity and hydrodynamics

We present EvoL, the new release of the Padova N-body code for cosmological simulations of galaxy formation and evolution. In this paper, the basic Tree + SPH code is presented and analysed, together with an overview on the software architectures. EvoL is a flexible parallel Fortran95 code, specifically designed for simulations of cosmological structure formation on cluster, galactic and sub-galactic scales. EvoL is a fully Lagrangian self-adaptive code, based on the classical Oct-tree and on the Smoothed Particle Hydrodynamics algorithm. It includes special features such as adaptive softening lengths with correcting extra-terms, and modern formulations of SPH and artificial viscosity. It is designed to be run in parallel on multiple CPUs to optimize the performance and save computational time. We describe the code in detail, and present the results of a number of standard hydrodynamical tests.

astro-ph.CO↗