Work

The effect of oxygen on the surface tension of AlTi metallic alloys

Year: 2026

Type: conference-paper

Abstract: We perform molecular dynamics (MD) simulations of AlTi metallic alloy melts, with a specific focus on surface properties and the effect of oxygen. The simulations use a machine-learned inter- action potential (MLIP) that has recently been tested through experimental data for the statical and dynamical properties of AlTi melts in the bulk [Kato et al. (2026)]. We find that the surface- tension response to oxygen depends strongly on the AlTi composition. Element-resolved density profiles show that oxygen enrichment near the interface is accompanied by a suppression of the Al surface segregation observed in the oxygen-free liquid. The results are compared to experimental values obtained using levitation techniques in microgravity.

Source: elib (German Aerospace Center)

DOI: 10.48550/arxiv.2610.23286

Authors: Kato, Yuna, Brillo, Jürgen, Voigtmann, Thomas, Heitmeier, Linnea

Institutions: Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR), Institute of Science Tokyo, Heinrich Heine University Düsseldorf

Language: English

Topic: Thermodynamic and Structural Properties of Metals and Alloys

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: green

Funders: Bundesministerium für Wirtschaft und Klimaschutz, Deutsche Forschungsgemeinschaft, Agence Nationale de la Recherche, Deutsches Zentrum für Luft- und Raumfahrt

Award: Diffusion, Dynamik und Erstarrungsprozesse in FeAlSiSchmelzen