Energetic sulfur ion impacts into cometary ice surfaces: a molecular dynamics study

C Anders and HM Urbassek, MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 482, 2374-2388 (2019).

DOI: 10.1093/mnras/sty2770

Molecular dynamics simulations are used to analyse the effects after 20 MeV sulfur ion impact into an ice mixture consisting of water, carbon dioxide, ammonia, and methanol. By using a so-called REAX, i.e., reactive, potential, the chemical processes occurring after the impact can be studied. Such impacts may occur in Jupiter's magnetosphere, where energetic S ions originate from Io's surface and irradiate ice surfaces of Jupiter's moons, of comets or ice dust particles entering the magnetosphere. By segmenting the ion trajectory to smaller pieces that fit into our simulation box, we can follow the ion from its impact point at the surface down to the depth where it is stopped. Electronic stopping is modelled by a thermal track model; it is necessary to use a sufficiently small track radius R in order to be able to include the hot-chemistry reactions occurring in the track volume. We find that the number of dissociations and ensuing reactions scales approximately linearly with the deposited energy density. In consequence, the total number of molecules produced is approximately proportional to the impact energy. In addition, the most complex molecules are formed at the highest energy densities. Smaller molecules such as formaldehyde and hydrogen peroxide, in contrast, are produced all along the ion track.

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