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Discrete-state stochastic models have become a well-established approach to describe biochemical reaction networks that are influenced by the inherent randomness of cellular events. In the last years severalmethods for accurately…

Molecular Networks · Quantitative Biology 2017-07-03 Alexander Lück , Verena Wolf

We simulate the chemistry of infrared dark clouds (IRDCs) with a model in which the physical conditions are homogeneous and time-independent. The chemistry is solved as a function of time with three networks: one purely gas-phase, one that…

Solar and Stellar Astrophysics · Physics 2015-06-04 T. Vasyunina , A. I. Vasyunin , E. Herbst , H. Linz

Granular materials are heterogenous grains in contact, which are ubiquitous in many scientific and engineering applications such as chemical engineering, fluid mechanics, geomechanics, pharmaceutics, and so on. Granular materials pose a…

Computational Physics · Physics 2019-11-21 Haolei Wang , Lei Zhang

Astrochemical models can be greatly simplified, with obvious computational advantages, if the reaction networks for key species can be reduced to a bare minimum. In addition, if chemical equilibrium holds, then simple analytical solutions…

Astrophysics of Galaxies · Physics 2025-08-26 Jonathan Rawlings , Eric Keto , Paola Caselli

The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in astrochemistry. One of the main paradigms trying to reproduce the observations postulates that iCOMs are formed on the ice mantles covering the…

Astrophysics of Galaxies · Physics 2022-03-30 Joan Enrique-Romero , Albert Rimola , Ceccarelli , Piero Ugliengo , Nadia Balucani , Dimitrios Skouteris

We use a suite of hydrodynamics simulations of the interstellar medium (ISM) within a galactic disk, which include radiative transfer, a non-equilibrium model of molecular hydrogen, and a realistic model for star formation and feedback, to…

Astrophysics of Galaxies · Physics 2024-05-07 Ava Polzin , Andrey V. Kravtsov , Vadim A. Semenov , Nickolay Y. Gnedin

Methanol, one of the simplest complex organic molecules in the Interstellar Medium (ISM), has been shown to be present and extended in cold environments such as starless cores. We aim at studying methanol emission across several starless…

Astrophysics of Galaxies · Physics 2021-12-22 S. Spezzano , A. Fuente , P. Caselli , A. Vasyunin , D. Navarro-Almaida , M. Rodríguez-Baras , A. Punanova , C. Vastel , V. Wakelam

Nearby dwarf irregular galaxies are ideal laboratories for studying the interstellar medium (ISM) at low metallicity, which is expected to be common for galaxies at very high redshift being observed by the James Webb Space Telescope. We…

Astrophysics of Galaxies · Physics 2023-08-02 Chia-Yu Hu , Amiel Sternberg , Ewine F. van Dishoeck

Growing evidence has indicated that the global composition distribution plays an indisputable role in interpreting observational data. 3D general circulation models (GCMs) with a reliable treatment of chemistry and clouds are particularly…

Earth and Planetary Astrophysics · Physics 2022-08-10 Shang-Min Tsai , Elspeth K. H. Lee , Raymond Pierrehumbert

Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…

In dense molecular clouds collisions between dust grains alter the ISM-dust size distribution. We study this process by inserting the results from detailed numerical simulations of two colliding dust aggregates into a coagulation model that…

Solar and Stellar Astrophysics · Physics 2015-05-13 C. W. Ormel , D. Paszun , C. Dominik , A. G. G. M. Tielens

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

Biochemical systems are inherently stochastic, particularly those with small-molecule populations. The spatial distribution of molecules plays a critical role and requires the inclusion of spatial coordinates in their analysis. Stochastic…

Molecular Networks · Quantitative Biology 2025-05-15 Manuel Eduardo Hernández-García , Eduardo Moreno-Barbosa , Jorge Velázquez-Castro

Surface processes on cosmic solids in cold astrophysical environments lead to gas phase depletion and molecular complexity. Most astrophysical models assume that the molecular ice forms a thick multilayer substrate, not interacting with the…

Astrophysics of Galaxies · Physics 2020-06-17 Alexey Potapov , Cornelia Jäger , Thomas Henning

We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…

Graphics · Computer Science 2023-08-04 Alexander Sommer , Ulrich Schwanecke , Elmar Schömer

Manipulation of granular materials such as sand or rice remains an unsolved problem due to challenges such as the difficulty of defining their configuration or modeling the materials and their particles interactions. Current approaches tend…

Robotics · Computer Science 2022-03-15 Neea Tuomainen , David Blanco-Mulero , Ville Kyrki

Aims. We define a small and large chemical network which can be used for the quantitative simultaneous analysis of molecular emission from the near-IR to the submm. We revise reactions of excited molecular hydrogen, which are not included…

Solar and Stellar Astrophysics · Physics 2017-11-15 Inga Kamp , Wing-Fai Thi , Peter Woitke , Christian Rab , Sietske Bouma , Francois Menard

The approach to model composite interstellar dust grains, using the exact solution to the light scattering problem for multi-layered spheres as suggested by Voshchinnikov & Mathis (1999), is further developed. Heterogeneous scatteres are…

Astrophysics · Physics 2007-05-23 N. V. Voshchinnikov , V. B. Il'in , Th. Henning , D. N. Dubkova

Granular systems present surprisingly complicated dynamics. In particular, nonlinear interactions and energy dissipation play important roles in these dynamics. Usually, constant coefficients of restitution are introduced phenomenologically…

Soft Condensed Matter · Physics 2014-08-29 Italo'Ivo Lima Dias Pinto , Alexandre Rosas , Katja Lindenberg

Interstellar grains are known to be important actors in the formation of interstellar molecules such as H$_2$, water, ammonia, and methanol. It has been suggested that the so-called interstellar complex organic molecules (iCOMs) are also…