Structural origin underlying the effect of cooling rate on solidification point

doi:10.1088/1674-1056/24/11/116101

中国物理B ›› 2015, Vol. 24 ›› Issue (11): 116101-116101.doi: 10.1088/1674-1056/24/11/116101

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Structural origin underlying the effect of cooling rate on solidification point

李晨辉, 韩秀君, 栾英伟, 李建国

Laboratory of Advanced Materials Solidification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

收稿日期:2015-05-03 修回日期:2015-07-15 出版日期:2015-11-05 发布日期:2015-11-05
通讯作者: Han Xiu-Jun E-mail:xjhan@sjtu.edu.cn
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2011CB012900), the National Natural Science Foundation of China (Grant No. 51171115), the Natural Science Foundation of Shanghai City, China (Grant No. 10ZR1415700), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20100073120008), the Program for New Century Excellent Talents in Universities of China. This work is partially supported by Alexander von Humboldt Foundation.

Structural origin underlying the effect of cooling rate on solidification point

Li Chen-Hui (李晨辉), Han Xiu-Jun (韩秀君), Luan Ying-Wei (栾英伟), Li Jian-Guo (李建国)

Laboratory of Advanced Materials Solidification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

Received:2015-05-03 Revised:2015-07-15 Online:2015-11-05 Published:2015-11-05
Contact: Han Xiu-Jun E-mail:xjhan@sjtu.edu.cn
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2011CB012900), the National Natural Science Foundation of China (Grant No. 51171115), the Natural Science Foundation of Shanghai City, China (Grant No. 10ZR1415700), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20100073120008), the Program for New Century Excellent Talents in Universities of China. This work is partially supported by Alexander von Humboldt Foundation.

摘要/Abstract

摘要： Solidification behaviors of liquid aluminum at different cooling rates were examined via classical molecular dynamics simulation with an embedded atom method potential. The results demonstrate that solidification point decreases with increasing cooling rate. To explain this phenomenon, solid-like cluster in liquid was analyzed by the structural analysis method of bond order parameters. The results reveal that the size of the largest solid-like cluster in deeply undercooled liquid decreases with the increase of cooling rate, which can provide a structural interpretation to the above phenomenon.

关键词: liquid metal, undercooled solidification, local structure, molecular dynamics

Abstract: Solidification behaviors of liquid aluminum at different cooling rates were examined via classical molecular dynamics simulation with an embedded atom method potential. The results demonstrate that solidification point decreases with increasing cooling rate. To explain this phenomenon, solid-like cluster in liquid was analyzed by the structural analysis method of bond order parameters. The results reveal that the size of the largest solid-like cluster in deeply undercooled liquid decreases with the increase of cooling rate, which can provide a structural interpretation to the above phenomenon.

Key words: liquid metal, undercooled solidification, local structure, molecular dynamics

中图分类号: (Liquid metals and alloys)

61.25.Mv

64.70.D- (Solid-liquid transitions) 61.20.Ja (Computer simulation of liquid structure)

李晨辉, 韩秀君, 栾英伟, 李建国. Structural origin underlying the effect of cooling rate on solidification point[J]. 中国物理B, 2015, 24(11): 116101-116101.

Li Chen-Hui (李晨辉), Han Xiu-Jun (韩秀君), Luan Ying-Wei (栾英伟), Li Jian-Guo (李建国). Structural origin underlying the effect of cooling rate on solidification point[J]. Chin. Phys. B, 2015, 24(11): 116101-116101.

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Structural origin underlying the effect of cooling rate on solidification point

Structural origin underlying the effect of cooling rate on solidification point

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