Effects of Re, Ta, and W in [110] (001) dislocation core of γ/γ'interface to Ni-based superalloys: First-principles study

• 作者: Chuanxi Zhu Tao Yu
• 来源期刊: 中国物理B（英文版）
• 年，卷（期）: 2020,（9）
• 所属期刊栏目: CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES
• 页码范围: 436-443
• 页数: 8页
• 语种: 英文
• DOI: 10.1088/1674-1056/abad26

摘要

The strengthening effects of alloying elements Re,Ta,and W in the[110](001) dislocation core of the γ/γ'interface are studied by first-principles calculations.From the level of energy the substitution formation energies and the migration energies of alloying elements are computed and from the level of electron the differential charge density (DCD) and the partial density of states (PDOSs) are computed.Alloying elements above are found to tend to substitute for A1 sites γ'phase by analyzing the substitution formation energy.The calculation results for the migration energies of alloying elements indicate that the stability of the[110](001) dislocation core is enhanced by adding Ta,W,and Re and the strengthening effect of Re is the strongest.Our results agree with the relevant experiments.The electronic structure analysis indicates that the electronic interaction between Re-nearest neighbor (NN) Ni is the strongest.The reason why the doped atoms have different strengthening effects in the[110](001) dislocation core is explained at the level of electron.

作者信息

序号	姓名	单位	发文数	被引次数	H指数	G指数
1	Chuanxi Zhu		1	0	0.0	0.0
2	Tao Yu		1	0	0.0	0.0