Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study

doi:10.1016/j.jallcom.2020.156386

IMR OpenIR

	Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study
	Wang, Haiyan 1,2; Gao, Xueyun 2; Chen, Shuming 3; Li, Yiming 2; Wu, Zhongwang 1; Ren, Huiping 2
通讯作者	Gao, Xueyun(gaoxueyun126@163.com) ; Ren, Huiping(renhuiping@imust.edu.cn)
	2020-12-15
发表期刊	JOURNAL OF ALLOYS AND COMPOUNDS
ISSN	0925-8388
卷号	846 页码:12
摘要	The fundamental mechanism of the precipitation kinetics and stability of nano-sized Cu-precipitates are crucial to the development of ultra-high strength low carbon ferritic steels. The effects of Al on the formation and stabilization of B2 Cu-rich precipitates in Fe-Cu based steels were studied using experimental method combining the first-principles calculations and molecular dynamics simulations. With increasing aging time, the Cu-rich particles with B2 structure precipitated in the ferritic matrix with cube-on-cube and coherent relationship, and Al addition leads to a relatively higher precipitation hardening effect. The first-principle calculations indicate that the metastable B2 FeCu phase has relatively higher mixing energy and small lattice mismatch with the ferritic matrix, and the addition of Al leads to the lower mixing energy of B2 precipitates and the B2 structure Fe(CuAl) compound possesses more smaller lattice mismatch with ferritic matrix. To better understanding the effect of Al on the evolution process of Cu-rich particles, it is essential to investigate the migration and clustering process of Cu atoms during the isothermal tempering at the atomic scale. To this end, we first developed a new interatomic potential of Fe-Cu-Al using the force-matching method based on ab initio calculations, then the formation and evolution of Cu clusters in the Fe-Cu-Al ternary were studied using molecular dynamics method with the new EAM potential. The simulation results indicate that Al addition promotes the clustering of Cu atoms due to the attractive interaction between Cu and Al atoms which enhances nucleation rate of the Cu-rich precipitates. (C) 2020 Elsevier B.V. All rights reserved.
关键词	Cu precipitate Aging experiment Mixing energy Interatomic potential Molecular dynamics
资助者	National Natural Science Foundation of China ; Natural Science Foundation of Inner Mongolia ; Youth Science and Technology Talent Support Project of Inner Mongolia Autonomous Region Higher Education Institutions
DOI	10.1016/j.jallcom.2020.156386
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51764047] ; National Natural Science Foundation of China[51961030] ; Natural Science Foundation of Inner Mongolia[2019MS05013] ; Youth Science and Technology Talent Support Project of Inner Mongolia Autonomous Region Higher Education Institutions[NJYT-19-A21]
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000567762800008
出版者	ELSEVIER SCIENCE SA
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/140797
专题	中国科学院金属研究所
通讯作者	Gao, Xueyun; Ren, Huiping
作者单位	1.Inner Mongolia Univ Sci & Technol, Sch Met & Mat, Baotou 014010, Peoples R China 2.Inner Mongolia Univ Sci & Technol, Key Lab Integrated Exploitat Bayan Obo Multimet R, Baotou 014010, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shengyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Wang, Haiyan,Gao, Xueyun,Chen, Shuming,et al. Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2020,846:12.
APA	Wang, Haiyan,Gao, Xueyun,Chen, Shuming,Li, Yiming,Wu, Zhongwang,&Ren, Huiping.(2020).Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study.JOURNAL OF ALLOYS AND COMPOUNDS,846,12.
MLA	Wang, Haiyan,et al."Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study".JOURNAL OF ALLOYS AND COMPOUNDS 846(2020):12.