Molecular dynamics analysis of the crystallization of an overcooled aluminum melt

The homogeneous nucleation of a crystal in an overcooled aluminum melt was modeled by the molecular dynamics (MD) method. The MD simulation used the embedded-atom potential. The crystallization delay times were determined from MD simulation data. In a set of systems at the same temperature and pressure, the lifetimes were distributed exponentially. Nucleation frequencies at different temperatures and pressures were determined. The resulting nucleation frequencies were compared with the ones predicted by classical nucleation theory.

Hali tarjima qilinmagan