CAS OpenIR  > 中科院上海原子核所2003年前
Calculation of the Griffith cohesive energy of the Ni3AlBx symmetrical grain boundary
Zheng, LP(郑里平); Zhang, HY(张虎勇); Li, DX; Cui, FZ
2002
Source PublicationCHINESE PHYSICS LETTERS
ISSN0256-307X
Volume19Issue:10Pages:1490
AbstractA Monte Carlo simulation, with the energetics described by the embedded atom method, has been employed to study the physical behaviour of boron atoms during relaxation of the Ni3AlBinfinity grain boundary. It has also been used to calculate not only the peak concentrations of Ni and B and the valley concentration of Al at the grain boundary, but also the dependence of the grain boundary cohesion on the B bulk concentration. During relaxation of impure Ni3Al grain boundaries, we suggest that, as the segregating species, the B atoms either insert into interstices in the grain boundary or substitute Ni atoms. Meanwhile, as the inducing species, they induce Ni atoms to substitute for Al atoms. Calculations show that in the equilibrium, when the B bulk concentration x increases from 0.1 to 0.9, the peak concentration of B increases, the peak concentration of Ni maximizes while the valley concentration of Al minimizes at x = 0.5. The calculations also show the best cohesion of the grain boundary at x = 0.5.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000178755700028
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/9889
Collection中科院上海原子核所2003年前
Recommended Citation
GB/T 7714
Zheng, LP,Zhang, HY,Li, DX,et al. Calculation of the Griffith cohesive energy of the Ni3AlBx symmetrical grain boundary[J]. CHINESE PHYSICS LETTERS,2002,19(10):1490.
APA Zheng, LP,Zhang, HY,Li, DX,&Cui, FZ.(2002).Calculation of the Griffith cohesive energy of the Ni3AlBx symmetrical grain boundary.CHINESE PHYSICS LETTERS,19(10),1490.
MLA Zheng, LP,et al."Calculation of the Griffith cohesive energy of the Ni3AlBx symmetrical grain boundary".CHINESE PHYSICS LETTERS 19.10(2002):1490.
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