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MM: Fachverband Metall- und Materialphysik

MM 29: Poster II

MM 29.33: Poster

Dienstag, 19. März 2024, 17:00–19:00, Poster B

Oxygen-surface interactions investigated by atomistic simulations — •Stephen Hocker, Hansjörg Lipp, and Johannes Roth — Institut für Funktionelle Materie und Quantentechnologien, Universität Stuttgart

Oxygen atoms impinging on satellite surfaces in very low earth orbit (VLEO) transfer energy by various mechanisms and, due to their high chemical reactivity, may form oxides. This project aims to investigate atomic oxygen-metal and atomic oxygen-oxide interactions on an atomistic level using molecular dynamics simulations and density functional theory based calculations. The fraction of reflected and adsorbed atoms and the energy and momentum transfer will be determined depending on the material, incidence energy, incidence angle, surface roughness, and surface temperature. A focus lies on the mechanisms of energy loss and chemical reactions at the surface. Furthermore, adsorption energies and diffusion paths of oxygen at the surface, within the bulk, and along metal-oxide interfaces will be calculated. In a long-term perspective, we will deliver, in cooperation with project partners, an overall validated methodology for the calculation and provision of a database of atomic oxygen-surface interactions under relevant VLEO conditions.

Keywords: oxygen; surface; molecular dynamics