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Published January 2007 | public
Journal Article Open

Bridging Atomistic/Continuum Scales in Solids with Moving 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.

Additional Information

Copyright © 2007 Chinese Physical Society and IOP Publishing Limited. Received 19 June 2006. Print publication: Issue 1 (January 2007) The authors would like to thank Professors S. Lichter and S. Hao for stimulating discussions. The work has been conducted under the support of NSF and ARO. and NSFC No. 90407021.

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Created:
August 22, 2023
Modified:
October 16, 2023