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Philosophical Magazine Volume 83, 2003 - Issue 31-34: Multiscale Modelling of Nano- and Micro-mechanics of Materials
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Original Articles

Atomistic simulation of dislocation emission in nanosized grain boundaries

P. M. Derlet Paul Scherrer Institute, Villigen, CH-5232, Switzerland
,
H. Van Swygenhoven† Paul Scherrer Institute, Villigen, CH-5232, SwitzerlandView further author information
&
A. Hasnaoui Paul Scherrer Institute, Villigen, CH-5232, Switzerland
Pages 3569-3575 | Received 27 Sep 2002, Accepted 18 Feb 2003, Published online: 12 May 2010
 
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Abstract

The present work deals with the atomic mechanism responsible for the emission of partial dislocations from grain boundaries (GB) in nanocrystalline metals. It is shown that, in a 12 nm grain-size sample, GBs containing grain-boundary dislocations (GBDs) can emit a partial dislocation during deformation by local atomic shuffling and stress-assisted free-volume migration. As in previous work, the nucleation occurs at a GBD, which, upon nucleation and propagation, is removed. In the present case, free-volume migration occurs away from the nucleation region both before and after the nucleation event.

Acknowledgements

This work is supported by the Swiss National Science Foundation (grant 2000-056835.99).

Notes

† Email: [email protected].

Additional information

Notes on contributors

H. Van SwygenhovenFootnote†

† Email: [email protected].

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