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International Journal for Multiscale Computational Engineering
Factor de Impacto: 1.016 Factor de Impacto de 5 años: 1.194 SJR: 0.452 SNIP: 0.68 CiteScore™: 1.18

ISSN Imprimir: 1543-1649
ISSN En Línea: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v8.i2.70
pages 221-235

Dynamic Crack Propagation Using a Combined Molecular Dynamics/Extended Finite Element Approach

Pascal Aubertin
Universite de Lyon, CNRS INSA-Lyon, LaMCoS UMR 5259, France
Julien Rethore
Department of Mechanical Engineering, Eindhoven University of Technology, P.O. Box 513, NL-5600 MB Eindhoven, Netherlands
Rene de Borst
Department of Civil Engineering and Mechanics, University of Glasgow Glasgow, G12 8QQ, Scotland


A method is presented for simulating dynamic crack propagation using a coupled molecular dynamics/extended finite element method. Molecular dynamics is used at the crack tip while the extended finite element method naturally models the crack in the wake of the tip as a traction-free discontinuity. After recalling the basic molecular dynamics equations, the discretization of the continuum and the traction-free discontinuity via the extended finite element method, and the zonal coupling method between both domains, two-dimensional computations of dynamic fracture are presented, including a discussion on how to move and/or expand the zone in which molecular dynamics is used upon crack propagation.


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