First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys

doi:10.1016/j.jmrt.2024.02.127

IMR OpenIR

	First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys
	Zhang, Li-Min 1; Cao, Shuo 2; Zhang, Xue-Chun 2; Zhang, Shang-Zhou 3; Hu, Qing-Miao 2
通讯作者	Cao, Shuo(scao14b@imr.ac.cn) ; Zhang, Shang-Zhou(szzhang@ytu.edu.cn)
	2024-03-01
发表期刊	JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
ISSN	2238-7854
卷号	29 页码:3813-3823
摘要	The rafting of the microstructure of Ni-based superalloys significantly deteriorates the mechanical properties. According to the plastic rafting model based on the dislocation mechanism, the directional atomic diffusion induced by the interaction between the alloying atom and the interfacial dislocation is critical to the evolution of the rafting microstructure. In the present work, the interactions between the alloying atom and dislocation core in both matrix gamma phase and the precipitate gamma ' phase are investigated by using a first principles method in combination with the semi-discrete variational Peierls-Nabarro dislocation model. We show that the alloying atoms Al, Cr, Co, Mo, Ru, Ta, W, Re lower the (edge for Cr and Co) dislocation core energy in the gamma phase, indicating that the alloying atoms are attractive to the dislocation core. For the gamma ' phase, Cr, Mo, Ta, W, Re raise whereas Co and Ru lower the dislocation core energy, i.e., Cr, Mo, Ta, W, Re are repulsive but Co and Ru are attractive to the dislocation core. With the calculated interaction between the alloying atoms and the dislocation core, the influence of these alloying elements on the rafting of the superalloy is discussed.
关键词	Ni-based superalloys First-principles Generalized stacking fault energy Dislocations Rafting
资助者	National Key Research and Development Program of China ; National Major Science and Technology Projects of China
DOI	10.1016/j.jmrt.2024.02.127
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2022YFB3708300] ; National Major Science and Technology Projects of China[J2019 -VI -0023-0140]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001194476100001
出版者	ELSEVIER
引用统计	被引频次：4[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/321006/185185
专题	中国科学院金属研究所
通讯作者	Cao, Shuo; Zhang, Shang-Zhou
作者单位	1.Yantai Univ, Coll Nucl Equipment & Nucl Engn, Yantai 264005, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Yantai Univ, Inst Adv Studies Precis Mat, Yantai 264005, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Li-Min,Cao, Shuo,Zhang, Xue-Chun,et al. First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,29:3813-3823.
APA	Zhang, Li-Min,Cao, Shuo,Zhang, Xue-Chun,Zhang, Shang-Zhou,&Hu, Qing-Miao.(2024).First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,29,3813-3823.
MLA	Zhang, Li-Min,et al."First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 29(2024):3813-3823.