Correlation between local clusters and structure of Al71Cu29 melt
来源期刊：中国有色金属学报(英文版)2003年第2期
论文作者：陈莹 边秀房 孙民华 王丽
文章页码：344 - 347
Key words：cluster；ground states；Al-Cu alloy；X-ray diffractometry
Abstract: The structures of Al1-4Cu1-2 clusters were optimized by B3LYP method and the six geometries ground states were obtained. Al71Cu29 alloy melt has been investigated using X-ray diffractometry at 700℃. The experimental data were compared with calculated results to find the relation between the structures of Al-Cu clusters and melt structure. It is shown that there exists a strong interaction between Al and Cu atoms. The bond length in some geometries is very close to the experimental atomic distance. Such optimized geometries have close correlation with the liquid structure of Al-Cu alloy.
