A Relay-Zone Technique for Computing Dynamic Dislocations

Abstract

We propose a multiscale method for simulating solids with moving dislocations. Away from atomistic subdomains where the atomistic dynamics are fully resolved, a dislocation is represented by a localized jump profile, superposed on a defect-free field. We assign a thin relay zone around an atomistic subdomain to detect the dislocation profile and its propagation speed at a selected relay time. The detection technique utilizes a lattice time history integral treatment. After the relay, an atomistic computation is performed only for the defect-free field. The method allows one to effectively absorb the fine scale fluctuations and the dynamic dislocations at the interface between the atomistic and continuum domains. In the surrounding region, a coarse grid computation is adequate. We illustrate the algorithm for a 1D Frenkel-Kontorova model at finite temperature. By comparison of the numerical results in the following figure, the reflection is absorbed by the proposed relay-zone technique.

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© 2007 Tsinghua University Press & Springer.

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