Molecular Dynamics Study of the Effect of Carbon Atoms on the Surface Tension of Silicon-carbon Alloy

T Narumi and Y Shibuta and T Yoshikawa, ISIJ INTERNATIONAL, 60, 199-204 (2020).

DOI: 10.2355/isijinternational.ISIJINT-2019-308

We conducted molecular dynamics simulations of Si-C alloy to understand the atomistic behavior of solute C atoms near the melt surface and to estimate the surface tension. The surface tensions of liquid Si and C were first evaluated and compared with experimental values and those for other metals. The composition dependence of the surface tension of Si-C alloy was then evaluated, and compared with estimates obtained using the modified Butler's model. The behavior of C atoms at the surface of liquid Si-C alloys is also discussed.

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