Crystal-melt interface kinetic behaviors of iron

被引：7

作者：

Wu, Lingkang ^{[1
]}

Zhu, Yiying ^{[1
]}

Wang, Hao ^{[2
]}

Li, Mo ^{[1
,3
]}

机构：

[1] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

[2] Shenzhen Univ, Coll Mechatron & Control Engn, Gugangdong Prov Key Lab Micro Nano Optomechatron, Shenzhen 518060, Peoples R China

[3] Zhengzhou Univ, Sch Mat Sci & Engn, Zhengzhou 540001, Henan, Peoples R China

来源：

AIP ADVANCES | 2021年 / 11卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Free energy - Kinetics - Iron - Integral equations;

D O I：

10.1063/5.0041642

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

While the crystal-melt interface kinetic equation predicts various kinetic behaviors, the realization of these scenarios and the corresponding thermodynamic conditions remain unclear. In this work, six representative interface kinetic behaviors of Fe were modeled and examined by molecular dynamics simulations. For the flat interface, several models were designed to study the migration, fluctuation, and recovery of the interface. For the cylindrical or curved interface, different models were also designed to test the equilibrium, migration, and instability of the interface. By comparing the kinetic behaviors of the two types of interfaces, we can observe the effect of interface curvature. During the simulations, two crucial material-specific parameters, the crystal-melt interface free energy and kinetic coefficient, were determined and compared among different models.

引用

页数：15