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PreprintCC BY 4.0arXiv

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

  • Yuna Kato
  • Jürgen Brillo
  • Thomas Voigtmann
  • Linnea Heitmeier
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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.

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Cite

BibTeXRIS
BibTeX
@misc{kato2026effect,
  title = {{The effect of oxygen on the surface tension of AlTi metallic alloys}},
  author = {Yuna Kato and Jürgen Brillo and Thomas Voigtmann and Linnea Heitmeier},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.23286},
  eprint = {2610.23286},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.23286},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - The effect of oxygen on the surface tension of AlTi metallic alloys
AU  - Yuna Kato
AU  - Jürgen Brillo
AU  - Thomas Voigtmann
AU  - Linnea Heitmeier
PY  - 2026
DA  - 2026/10/16
PB  - arXiv
DO  - 10.48550/arxiv.2610.23286
UR  - https://arxiv.org/abs/2610.23286
AB  - 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.
ER  -