Structural changes on supercooling liquid silicon
Structural changes on supercooling liquid silicon
复制标题
DOI：
10.1063/1.1631388
复制
发表时间：
2003-12-08
影响因子：
4
通讯作者：
Saboungi, ML
中科院分区：
文献类型：
--
作者：
Jakse, N;Hennet, L;Saboungi, ML
通过 X 射线衍射实验和从头算分子动力学 (AIMD) 模拟，研究了液态硅进入深度过冷区域的原子结构。所使用的悬浮技术使得测量温度可延伸至 1458 K，比平衡熔点低 230 K。 X 射线和 AIMD 结果相当一致，最终表明，随着液体过冷，四面体有序性得到增强，配位数减少，这对液-液相变有影响。 (C) 2003 年美国物理研究所。
X-ray diffraction experiments and ab initio molecular dynamics (AIMD) simulations have been performed to investigate the atomic structure of liquid silicon into the deeply supercooled region. The levitation technique used has made it possible to extend the measurements down to a temperature of 1458 K, 230 K below the equilibrium melting point. The x-ray and AIMD results, which are in reasonable agreement, show conclusively that the tetrahedral order is reinforced and that the coordination number decreases as the liquid is supercooled, with implications for the liquid-liquid phase transition. (C) 2003 American Institute of Physics.