Association of atomic clusters and free volume with the viscosity of Fe-C melts

被引：8
|
作者：
Gao, Shanchao [1 ]
Jiao, Kexin [1 ,3 ]
Zhang, Jianliang [1 ,2 ]
Fan, Xiaoyue [1 ]
Zong, Yanbing [1 ,2 ]
机构：
[1] Univ Sci & Technol Beijing, Sch Met & Ecol Engn, Beijing 100083, Peoples R China
[2] Univ Queensland, Sch Chem Engn, St Lucia, Qld 4072, Australia
[3] Univ Sci & Technol Beijing, Res Inst Macrosafety Sci, Beijing 100083, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2022年 / 806卷
基金：
中国国家自然科学基金;
关键词：
Fe-C; Viscosity; Liquid structure; Free volume; Atomic cluster; MOLECULAR-DYNAMICS; LIQUID; IRON; ORDER;
D O I：
10.1016/j.cplett.2022.139983
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A comprehensive investigation on liquid structure and viscosity of Fe-C melts were performed. The result shows that there is actually a medium-range ordered cluster structure in molten iron, which is unstable and will change due to the existence of free volume. Carbon atoms exist in an ordered structure inside the melt, while iron atoms have three coordination states. The reduction of carbon content and the increase of temperature contribute to a low viscosity of molten iron. Meanwhile, the number and size of clusters in the Fe-C melt increase accordingly, but the mechanisms affected by temperature and composition are different.
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页数：16
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