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

TitleEffects of strontium impurity on the structure and dynamics of Al88Si12 liquid
Publication TypeJournal Article
Year of Publication2013
AuthorsYue GQ, Wu S, Shen B, Wang SY, Wang CZ, Ho KM, Kramer MJ, Chen LY
Journal TitleJournal of Physics-Condensed Matter
Volume25
Pages245102
Date Published06
Type of ArticleArticle
ISBN Number0953-8984
Accession NumberWOS:000319673800002
Keywordsalloys, diffusion-coefficients, initio molecular-dynamics, metals, set, velocity correlation-functions
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.

URL<Go to ISI>://WOS:000319673800002
DOI10.1088/0953-8984/25/24/245102