Shanghai Ultra-Precision Optical Manufacturing Engineering Center and Department of Optical Science and Engineering, Fudan University, Shanghai 200433, People's Republic of China.
J Phys Condens Matter. 2013 Jun 19;25(24):245102. doi: 10.1088/0953-8984/25/24/245102. Epub 2013 May 17.
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.
采用第一性原理分子动力学模拟研究了锶改性对 Al88Si12 液体结构和动力学的影响。通过用 Sr 取代 0.5%和 4.0%的 Al，我们表明 Sr 的添加降低了液体中 Al 和 Si 的自扩散，并降低了 Si 原子之间的最近邻相关性。该模拟为快速凝固 Al-Si 合金中观察到的共晶相形态变化提供了解释。
