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Multiscale modeling of intergranular fracture in aluminum: constitutive relation for interface debonding

  • Ultrafine-Grained Materials
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Abstract

Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics—finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction–displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum–atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum–atomistic interface, and continues its propagation in the atomistic environment. This study is a step toward relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

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Acknowledgement

V. Yamakov is sponsored through cooperative agreement NCC-1-02043 with the National Institute of Aerospace.

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Authors and Affiliations

  1. National Institute of Aerospace, Hampton, VA, 23666, USA

    V. Yamakov

  2. NASA Langley Research Center, Hampton, VA, 23681, USA

    E. Saether & E. H. Glaessgen

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  1. V. Yamakov
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  2. E. Saether
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  3. E. H. Glaessgen
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Correspondence to V. Yamakov.

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Yamakov, V., Saether, E. & Glaessgen, E.H. Multiscale modeling of intergranular fracture in aluminum: constitutive relation for interface debonding. J Mater Sci 43, 7488–7494 (2008). https://doi.org/10.1007/s10853-008-2823-7

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  • DOI: https://doi.org/10.1007/s10853-008-2823-7

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