标题：The relationship between the stability of glass-forming Fe-based liquid alloys and the metalloid-centered clusters
作者：S. X. Zhou;B. S. Dong;J. Y. Qin;D. R. Li;S. P. Pan;X. F. Bian;Z. B. Li
作者机构：Advanced Technology & Materials Co., Ltd., China Central Iron & Steel Research Institute Group, Beijing 100081, China;Ad
来源：Journal of Applied Physics
摘要：This article considers the roles of metalloids in two typical Fe-based glass former alloys (Fe_(78)Si_(9)B_(13) and Fe_(80)P_(11)C_(9)) in liquid state by using ab initio molecular dynamics simulations. It presents that Fe_(78)Si_(9)B_(13) alloy is mainly composed of B-centered prism-like clusters and bcc-like Fe-Si solid solution, while P-centered antiprism-like and C-centered prism-like clusters dominate in Fe_(80)P_(11)C_(9) alloy. The different liquid stabilities of the two alloys can be attributed to the different local environments around P and Si atoms and the different avoidance of metalloid atoms. The appearance of supercooled liquid region for metallic glasses has gained a better understanding based on these models.