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Computer Methods in Mechanics pp 211–237Cite as

A Multiscale Molecular Dynamics / Extended Finite Element Method for Dynamic Fracture

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Part of the book series: Advanced Structured Materials ((STRUCTMAT,volume 1))

Abstract

A multiscale method is presented which couples a molecular dynamics approach for describing fracture at the crack tip with an extended finite element method for discretizing the remainder of the domain. After recalling the basic equations of molecular dynamics and continuum mechanics the discretization is discussed for the continuum subdomain where the partition-of-unity property of finite element shape functions is used, since in this fashion the crack in the wake of its tip is naturally modelled as a traction-free discontinuity. Next, the zonal coupling method between the atomistic and continuum models is described, including an assessment of the energy transfer between both domains for a one-dimensional problem. It is discussed how the stress has been computed in the atomistic subdomain, and a two-dimensional computation is presented of dynamic fracture using the coupled model. The result shows multiple branching, which is reminiscent of recent results from simulations on dynamic fracture using cohesive-zone models.

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Author information

Authors and Affiliations

  1. CNRS INSA-Lyon, LaMCoS UMR 5259, Université de Lyon, France

    Pascal Aubertin & Julien Réthoré

  2. Eindhoven University of Technology, Department of Mechanical Engineering, P.O. Box 513, 5600, MB, Eindhoven, Netherlands

    René de Borst

Authors
  1. Pascal Aubertin
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  2. Julien Réthoré
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  3. René de Borst
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Editor information

Editors and Affiliations

  1. Inst. Building Engineering, University of Zielona Góra, ul. Z. Szafrana 1, 65-516, Zielona Góra, Poland

    Mieczysław Kuczma

  2. Rue Diderot 4, 13469, Berlin, Germany

    Krzysztof Wilmanski

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Aubertin, P., Réthoré, J., de Borst, R. (2010). A Multiscale Molecular Dynamics / Extended Finite Element Method for Dynamic Fracture. In: Kuczma, M., Wilmanski, K. (eds) Computer Methods in Mechanics. Advanced Structured Materials, vol 1. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-05241-5_12

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