Simulation multi-échelles des solides par une approche couplée dynamique moléculaire/éléments finis. De la modélisation à la simulation haute performance.

Abstract : This thesis is about the study of simulation of solids by multiscale coupling methods (atomic method/continuum ACM). In this thesis, we present from mathematical models to data-processing implementations in an HPC parallel context. After having pointed out the various numerical methods used for solid simulations, such as molecular dynamics and the continuum mechanics, we present a state of the art of the existing methods used to couple together continuum and atomic models. We then consider the Bridging Method developed by T. Belytschko and S. Xiao which uses a bridging zone where both models exists and where degrees of freedom are coupled. After having presented a modification of the integration scheme that improves the stability of this solution, we will make a spectral analysis of a unidimentional coupling case. Then, we will present the data-processing techniques which were used in order to carry out the implementation of one prototype. The data-processing framework is based on a component software philosophy which allows, in fine, to couple generic codes in a software environment. In particular, we will present the algorithms and routines used to perform the parallel coupling. We will finally present the numerical results obtained on cases in dimension 2 and 3, for waves propagations and cracks propagations.
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Modélisation et simulation. Université Sciences et Technologies - Bordeaux I, 2007. Français
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Guillaume Anciaux. Simulation multi-échelles des solides par une approche couplée dynamique moléculaire/éléments finis. De la modélisation à la simulation haute performance.. Modélisation et simulation. Université Sciences et Technologies - Bordeaux I, 2007. Français. 〈tel-00263816v3〉

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