Molecular Dynamics Simulation of the Structure and Deformation Behavior of gamma/alpha(2) Interface in TiAl Alloys

doi:10.11900/0412.1961.2018.00182

IMR OpenIR

	Molecular Dynamics Simulation of the Structure and Deformation Behavior of gamma/alpha(2) Interface in TiAl Alloys
	Tu Aidong 1,2; Teng Chunyu 3; Wang Hao 1; Xu Dongsheng 1; Fu Yun 3; Ren Zhanyong 3; Yang Rui 1
通讯作者	Wang Hao(haowang@imr.ac.cn)
	2019-02-11
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	55 期号:2 页码:291-298
摘要	TiAl alloys with gamma-TiAl and alpha(2)-Ti3Al dual-phase lamellar structure possess not only excellent high temperature performance but also density only about half of traditional superalloys. Such lamellar structure largely determines the mechanical properties of TiAl alloys. However, there is still a lack of understanding on the atomic structure of lamella, as well as their influence on the mechanical behaviors. For this reason, molecular dynamics with an embedded-atom potential is employed to investigate the energies of both the coherent and semi-coherent gamma/alpha(2) interfaces. The interface coherency is found to depend on the thickness ratio of gamma lamellae to alpha(2) lamellae, and there exists a critical lamella thickness, below/above which the interface is coherent/semi-coherent. Tensile loading perpendicular to the lamella interface indicates that the yield strength of coherent interface is higher than that of semi-coherent interface and the crack nucleation behavior varies with the thickness ratio of gamma lamellae to alpha(2), lamellae. The plastic deformation occurs first in the gamma region, forming Shockley partial dislocations and then crosses the gamma/alpha(2), interface via slip transfer, activating stacking faults on the pyramidal plane in the alpha(2) region. In this process, the gamma/alpha(2) interface provides nucleation sites for subsequent dislocations and cracks.
关键词	TiAl interface plastic deformation mechanical behavior molecular dynamics
资助者	National Key Research and Development Program of China ; National Natural Science Foundation of China ; Aeronautical Science Foundation of China ; Youth Innovation Promotion Association of Chinese Academy of Sciences ; Special Project on Information Technology of Chinese Academy of Sciences
DOI	10.11900/0412.1961.2018.00182
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2016YFB0701304] ; National Natural Science Foundation of China[51671195] ; Aeronautical Science Foundation of China[20160292002] ; Youth Innovation Promotion Association of Chinese Academy of Sciences[2015151] ; Special Project on Information Technology of Chinese Academy of Sciences[XXH13506-304]
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000455945800014
出版者	SCIENCE PRESS
引用统计	被引频次：6[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/321006/131192
专题	中国科学院金属研究所
通讯作者	Wang Hao
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China 3.AVIC China Aeropolytechnol Estab, Lab Fundamental Res, Beijing 100028, Peoples R China
推荐引用方式 GB/T 7714	Tu Aidong,Teng Chunyu,Wang Hao,et al. Molecular Dynamics Simulation of the Structure and Deformation Behavior of gamma/alpha(2) Interface in TiAl Alloys[J]. ACTA METALLURGICA SINICA,2019,55(2):291-298.
APA	Tu Aidong.,Teng Chunyu.,Wang Hao.,Xu Dongsheng.,Fu Yun.,...&Yang Rui.(2019).Molecular Dynamics Simulation of the Structure and Deformation Behavior of gamma/alpha(2) Interface in TiAl Alloys.ACTA METALLURGICA SINICA,55(2),291-298.
MLA	Tu Aidong,et al."Molecular Dynamics Simulation of the Structure and Deformation Behavior of gamma/alpha(2) Interface in TiAl Alloys".ACTA METALLURGICA SINICA 55.2(2019):291-298.