Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface

doi:10.1016/j.physleta.2021.127466

CORC > 兰州理工大学 > 兰州理工大学 > 省部共建有色金属先进加工与再利用国家重点实验室

	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface
	Ahmed, Fawaz Alnoman Mohammed 1,2,3; Xue, Hong-Tao 2,3; Tang, Fu-Ling 2,3; Ren, Jun-Qiang 2,3; Lu, Xue-Feng 2,3; Li, Jun-Chen 2,3
刊名	Physics Letters, Section A: General, Atomic and Solid State Physics
	2021-08-27
卷号	408
关键词	Binding energy Calculations Density functional theory Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Single crystals Binding strength Co-segregation Density-functional-theory First principle calculations Formation energies Interfacial fracture Ni$-3$/Al Nickel-based single-crystal superalloy Pseudogaps Γ-ni/γ'-ni3al phase interface
ISSN号	03759601
DOI	10.1016/j.physleta.2021.127466
英文摘要	First-principles calculations based on density functional theory were employed to investigate the Zr-Re/W co-segregations at the γ-Ni/γ'-Ni3Al interface and their effects on the stability and binding strength. It is found W/Re can segregate at the γ-L1-3.52-cp site of the γ-Ni (001) layer in the Zr-segregated interface which is the most stable. The stability of Zr-W/Re co-segregated interface is improved and becomes more stable than clean and Zr-segregated interfaces, due to the existence of pseudogaps at the Fermi level. The co-segregations of Zr-W/Re atoms do not change the final fracture place of γ-Ni/γ'-Ni3Al interface as compared with the Zr-segregated and clean interfaces. The co-segregations slightly enhance the fracture strength of Zr-segregated interface when interfacial fracture occurs in region-1, while is improved and even stronger than the clean interface as the fracture in region-2. Also, the binding energies of Zr-W/Re were calculated to elucidate the interatomic interactions, which contribute to interfacial strength. © 2021 Elsevier B.V.
WOS研究方向	Physics
语种	英语
出版者	Elsevier B.V.
WOS记录号	WOS:000660078800001
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/150921]
专题	省部共建有色金属先进加工与再利用国家重点实验室材料科学与工程学院
作者单位	1.Department of Mathematics and Physics, Faculty of Education, Kassala University, Sudan 2.State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou; 730050, China; 3.School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou; 730050, China;
推荐引用方式 GB/T 7714	Ahmed, Fawaz Alnoman Mohammed,Xue, Hong-Tao,Tang, Fu-Ling,et al. Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface[J]. Physics Letters, Section A: General, Atomic and Solid State Physics,2021,408.
APA	Ahmed, Fawaz Alnoman Mohammed,Xue, Hong-Tao,Tang, Fu-Ling,Ren, Jun-Qiang,Lu, Xue-Feng,&Li, Jun-Chen.(2021).Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface.Physics Letters, Section A: General, Atomic and Solid State Physics,408.
MLA	Ahmed, Fawaz Alnoman Mohammed,et al."Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface".Physics Letters, Section A: General, Atomic and Solid State Physics 408(2021).