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

Abstract

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.