Brittle-ductile behavior of a nanocrack in nanocrystalline Ni: A quasicontinuum study

doi:10.1088/1674-1056/21/9/093104

Abstract The effects of stacking fault energy, unstable stacking fault energy and unstable twinning fault energy on the fracture behavior of nanocrystalline Ni are studied via the quasicontinuum simulations. Two semi-empirical potentials for Ni are used to vary the values of these generalized planar fault energies. When the above three energies are reduced, a brittle-to-ductile transition of the fracture behavior is observed. In the model with higher generalized planar fault energies, a nanocrack proceeds along a grain boundary, while in the model with lower energies, the tip of the nanocrack becomes blunt. A greater twinning tendency is also observed in the more ductile model. These results indicate that the fracture toughness of nanocrystalline face-centered-cubic metals and alloys might be efficiently improved by controlling the generalized planar fault energies.

Keywords: atomistic simulations nanocrystalline materials fracture grain boundaries

Received: 23 December 2011
Revised: 12 March 2012
Accepted manuscript online:

PACS:	31.15.xv	(Molecular dynamics and other numerical methods)
	61.72.Mm	(Grain and twin boundaries)
	62.20.mt	(Cracks)
	61.82.Rx	(Nanocrystalline materials)

Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB606403).

Corresponding Authors: Zhao Xing
E-mail: yfshao@alum.imr.ac.cn; zhao-heng-xing@126.com

Cite this article:

Shao Yu-Fei (邵宇飞), Yang Xin (杨鑫), Zhao Xing (赵星), Wang Shao-Qing (王绍青) Brittle-ductile behavior of a nanocrack in nanocrystalline Ni: A quasicontinuum study 2012 Chin. Phys. B 21 093104

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Brittle-ductile behavior of a nanocrack in nanocrystalline Ni: A quasicontinuum study

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