Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface | |
Ahmed, Fawaz Alnoman Mohammed1,2,3; Xue, Hong-Tao2,3; Tang, Fu-Ling2,3; Ren, Jun-Qiang2,3; Lu, Xue-Feng2,3; Li, Jun-Chen2,3 | |
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). |
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