| Title | Effects of strontium impurity on the structure and dynamics of Al88Si12 liquid |
| Publication Type | Journal Article |
| Year of Publication | 2013 |
| Authors | Yue, GQ, Wu, S, Shen, B, Wang, SY, Wang, CZ, Ho, KM, Kramer, MJ, Chen, LY |
| Journal | Journal of Physics-Condensed Matter |
| Volume | 25 |
| Pagination | 245102 |
| Date Published | 06 |
| Type of Article | Article |
| ISBN Number | 0953-8984 |
| Accession Number | WOS:000319673800002 |
| Keywords | alloys, 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. |
| DOI | 10.1088/0953-8984/25/24/245102 |
| Custom 1 | Structures and Dynamics |
