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Atomistic simulation of fracture in Ni3Al

Published online by Cambridge University Press:  31 January 2011

Hong-Xian Xie ,
Chong-Yu Wang  and
Tao Yu
Hong-Xian Xie*
Affiliation:
Central Iron and Steel Research Institute, Beijing 100081, China
Chong-Yu Wang
Affiliation:
International Centre for Materials Physics, Academia Sinica, Shenyang 110016, China; Central Iron and Steel Research Institute, Beijing 100081, China; and Department of Physics, Tsinghua University, Beijing 100084, China
Tao Yu
Affiliation:
Central Iron and Steel Research Institute, Beijing 100081, China
*
a)Address all correspondence to this author. e-mail: hongxianxie@163.com
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Abstract

The molecular dynamics method has been used to simulate mode I cracking in Ni3Al. Close attention has been paid to the process of atomic configuration evolution of the cracks. The simulation results show that at low temperature, the Shockley partial dislocations are emitted before the initiation of the crack propagation, subsequently forming the pseudo-twins on (111) planes in crack-tip zone, and then the crack cleavage occurs. The emitting of the Shockley partial dislocations accompanies the crack cleavage during the simulation process. At the higher temperature, the blunting at the crack tip is caused by the [110] superdislocations emitted on (100) plane. The present work also shows that the dipole dislocations on (111) planes in the 1/2[110] dislocation core can be formed.

Keywords

DislocationsFractureSimulation
Type
Articles
Information
Journal of Materials Research , Volume 23 , Issue 6 , June 2008 , pp. 1597 - 1603
Copyright
Copyright © Materials Research Society 2008

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