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Dislocation Dynamics Simulations of Junctions in Hexagonal Close-Packed Crystals

Published online by Cambridge University Press:  10 February 2012

Chi-Chin Wu ,
Sylvie Aubry ,
Peter W. Chung  and
Athanasios Arsenlis
Chi-Chin Wu*
Affiliation:
Oak Ridge Affiliated Universities Maryland, 4692 Millennium Drive, Suite 101, Belcamp MD 21017, U.S.A. Computational and Information Sciences Directorate, U. S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005, U.S.A.
Sylvie Aubry
Affiliation:
High Performance Computational Materials Science and Chemistry Group, Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, P.O. Box 808, L-367, Livermore, CA 94551, U.S.A.
Peter W. Chung
Affiliation:
Computational and Information Sciences Directorate, U. S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005, U.S.A.
Athanasios Arsenlis
Affiliation:
High Performance Computational Materials Science and Chemistry Group, Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, P.O. Box 808, L-367, Livermore, CA 94551, U.S.A.
*
*Email: [email protected]
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Abstract

The formation and strength of dislocations in the hexagonal closed-packed material are studied through dislocation junctions and the critical stress required to completely break them. Dislocation dynamics calculations of junctions are compared to an analytical line tension approximation in order to verify the simulations. Results show agreements between the models. Also the critical shear stress necessary to break a short and a long dislocation junction is computed numerically. Unzipping envelopes are mapped out for these junctions to describe their stability regions as functions of resolved shear stresses on the glide planes. The example of two non-coplanar binary dislocation junctions with slip systems [2 -1 -1 0] (0 1 -1 0) and [-1 2 -1 0] (0 0 0 1) corresponding to a prismatic and basal slip respectively is chosen to verify and validate our implementation.

Keywords

dislocationsstrengthsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1424: Symposium SS – Properties and Processes at the Nanoscale Nanomechanics of Material Behavior , 2012 , mrsf11-1424-ss07-37
Copyright
Copyright © Materials Research Society 2012

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References

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