Effects of strontium impurity on the structure and dynamics of Al88Si12 liquid

J Phys Condens Matter. 2013 Jun 19;25(24):245102. doi: 10.1088/0953-8984/25/24/245102. Epub 2013 May 17.

Abstract

The effects of strontium modification on the structure and dynamics of Al88Si12 liquid are studied by means of ab initio molecular dynamics simulations. By replacing 0.5% and 4.0% of Al with Sr, we show that the addition of Sr lowers the self-diffusion of Al and Si of the liquid and reduces the nearest-neighbor correlation between Si atoms. The simulation provides an explanation for the change in morphology of the eutectic phases observed in rapidly solidified Al-Si alloys modified with Sr.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.