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Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions

Published online by Cambridge University Press:  21 March 2011

Vasily V. Bulatov ,
Moon Rhee  and
Wei Cai
Vasily V. Bulatov
Affiliation:
Lawrence Livermore National Laboratory, University of California
Moon Rhee
Affiliation:
Lawrence Livermore National Laboratory, University of California
Wei Cai
Affiliation:
Massachusetts Institute of Technology
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Abstract

This article presents an implementation of periodic boundary conditions (PBC) for Dislocation Dynamics (DD) simulations in three dimensions (3D). We discuss fundamental aspects of PBC development, including preservation of translational invariance and line connectivity, the choice of initial configurations compatible with PBC and a consistent treatment of image stress. On the practical side, our approach reduces to manageable proportions the computational burden of updating the long-range elastic interactions among dislocation segments. The timing data confirms feasibility and practicality of PBC for large-scale DD simulations in 3D.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 653: Symposium Z – Multiscale Modeling of Materials-2000 , 2000 , Z1.3
Copyright
Copyright © Materials Research Society 2001

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