Journal
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Volume 499, Issue 1, Pages 1373-1384Publisher
OXFORD UNIV PRESS
DOI: 10.1093/mnras/staa2891
Keywords
astrochemistry; molecular data; methods: numerical; ISM: molecules
Categories
Funding
- Deutsche Forschungsgemeinschaft (DFG
- German Research Foundation) under Germany's Excellence Strategy [EXC 2075390740016]
- Stuttgart Center for Simulation Science (SimTech)
- European Union's Horizon 2020 research and innovation programme [646717]
- Institute for Parallel and Distributed Systems (IPVS) of the University of Stuttgart
- Alexander von Humboldt Foundation
- Studienstiftung des Deutschen Volkes (German National Academic Foundation)
- European Research Council (ERC) [646717] Funding Source: European Research Council (ERC)
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Dynamics of adsorption and desorption of (S-4)-N on amorphous solid water are analysed using molecular dynamic simulations. The underlying potential energy surface was provided by machine-learned interatomic potentials. Binding energies confirm the latest available theoretical and experimental results. The nitrogen sticking coefficient is close to unity at dust temperatures of 10 K but decreases at higher temperatures. We estimate a desorption time-scale of 1 mu s at 28 K. The estimated time-scale allows chemical processes mediated by diffusion to happen before desorption, even at higher temperatures. We found that the energy dissipation process after a sticking event happens on the picosecond time-scale at dust temperatures of 10 K, even for high energies of the incoming adsorbate. Our approach allows the simulation of large systems for reasonable time-scales at an affordable computational cost and ab initio accuracy. Moreover, it is generally applicable for the study of adsorption dynamics of interstellar radicals on dust surfaces.
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