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Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions

  • Vasily V. Bulatov (a1), Moon Rhee (a1) and Wei Cai (a2)

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.

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Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions

  • Vasily V. Bulatov (a1), Moon Rhee (a1) and Wei Cai (a2)

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