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Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations

Tang, Shao-Qiang and Liu, Wing K. and Karpov, Eduard G. and Hou, Thomas Y. (2007) Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations. Chinese Physics Letters, 24 (1). pp. 161-164. ISSN 0256-307X. http://resolver.caltech.edu/CaltechAUTHORS:TANcpl07

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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.


Item Type:Article
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.
Issue or Number:1
Record Number:CaltechAUTHORS:TANcpl07
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:TANcpl07
Alternative URL:http://dx.doi.org/10.1088/0256-307X/24/1/044
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:7178
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:14 Jan 2007
Last Modified:26 Dec 2012 09:29

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