共 26 条
Effect of alloying element segregation on theoretical strength and structural low-energy transition of Ni grain boundaries: A first-principles computational tensile test study
被引:1
|作者:
Shi, Yanyan
[1
,2
]
Xue, Hongtao
[1
]
Tang, Fuling
[1
]
Si, Fengjuan
[2
]
Hu, Yuxia
[1
,2
]
机构:
[1] Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China
[2] Lanzhou City Univ, Sch Bailie Mech Engn, Lanzhou 730070, Peoples R China
来源:
MATERIALS TODAY COMMUNICATIONS
|
2024年
/
41卷
基金:
中国国家自然科学基金;
关键词:
Ni E5 [001] (210) grain boundary;
Grain boundary segregation;
First-principles computational tensile test;
Grain boundary strength;
Structural transformation of grain boundary;
AL SIGMA-5;
EMBRITTLEMENT;
CHARACTER;
CO;
ALUMINUM;
MODELS;
D O I:
10.1016/j.mtcomm.2024.110739
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
Enhancing the stability and strength of nanocrystalline metals through the manipulation of grain boundary (GB) chemistry and structure is crucial for their engineering applications. In this study, first-principle computational tensile tests on Ni E5 [001] (210) GBs were conducted with considering Poisson's ratio and strengthening effect of alloying elements B, W, Zr, Ta, B-W and Zr-Ta segregation. The results indicate that the Zr-Ta co-segregated GB shows a remarkable increase in theoretical tensile strength by 195 % compared to the clean GB under small strain conditions. As tensile strain increases, both clean and segregated GBs undergo a low-energy structural transition from the E5 [001] (210) to the more stable E11 [110] (113). This work presents a promising approach for enhancing the stability of Ni nanograined materials through tensile deformation and GB segregation.
引用
收藏
页数:7
相关论文