作者: Shaoxiong Zhou , Bangshao Dong , Rui Xiang , Guangqiang Zhang , Jingyu Qin
DOI: 10.1016/J.PNSC.2015.02.002
关键词: Materials science 、 Ab initio molecular dynamics 、 Cluster (physics) 、 Phase (matter) 、 Amorphous solid 、 Ab initio 、 Crystallography 、 Alloy 、 Amorphous metal 、 Chemical physics 、 Crystallization
摘要: Abstract The liquid structure of seven representative Fe–Si–B alloys has been investigated by ab initio molecular dynamics simulation focusing on the role clusters in terms glass-forming ability (GFA) and crystallization. It is demonstrated that type primary phase precipitated from amorphous state under heat treatment determined relative fraction various melt. alloy melt shows higher stability resultantly larger GFA when there no dominant cluster or several coexist, which explains different GFAs crystallization processes at ratios Si B system. close correlation among clusters, crystalline also studied.