Comptes Rendus
Computational metallurgy and changes of scale / Métallurgie numérique et changements d'échelle
Finite element simulations of coherent diffraction in elastoplastic polycrystalline aggregates
Comptes Rendus. Physique, Volume 11 (2010) no. 3-4, pp. 293-303.

This work ties some crystal plasticity continuum mechanics computations with the diffraction theory. This allows one to predict coherent X-ray diffraction (CXD) patterns in reciprocal space in a polycrystalline specimen. When the sample deforms elastically, the full displacement field can be used to simulate CXD patterns, but it is no longer possible, as soon as plasticity develops within the considered grains. An approximate elastic displacement field, based on a first order Taylor expansion of the elastic deformation field near the center of the grain, is used to extend the predictions in the plastic regime. It is shown that using such a field leads to more realistic CXD patterns and therefore this approach could be useful to interpret coherent diffraction experiments in the future.

La théorie continue de la plasticité cristalline est utilisée pour prédire les figures de diffraction aux rayons X dans l'espace réciproque d'un polycristal métallique. Lorsque l'échantillon se déforme de manière purement élastique, le champ de déplacement calculé par éléments finis est utilisé pour simuler les figures de diffraction. Ce n'est plus possible dès que la plasticité se développe dans les grains étudiés. C'est la distorsion élastique qui intervient alors pour le calcul de diffraction. Un champ de déplacement approché, basé sur un développement de Taylor au premier ordre autour du centre d'un grain, est utilisé pour la prévision des figures de diffraction dans le régime plastique. On montre que l'usage de ce champ approché à la place du déplacement total conduit à des prévisions significativement différentes et plus réalistes des figures de diffraction. Cette approche peut donc être utile pour l'interprétation des expériences de diffraction cohérente.

Published online:
DOI: 10.1016/j.crhy.2010.07.009
Keywords: Coherent diffraction, Anisotropic elasticity, Crystal plasticity, Finite element modeling
Mot clés : Diffraction cohérente, Éasticité anisotrope, Plasticité cristalline, Modélisation par éléments finis

H. Proudhon 1; N. Vaxelaire 2; S. Labat 2; S. Forest 1; O. Thomas 2

1 MINES ParisTech, centre des matériaux, CNRS UMR 7633, BP 87, 91003 Evry cedex, France
2 Aix-Marseille University, CNRS, IM2NP, FST, avenue Escadrille-Normandie–Niemen, 13397 Marseille cedex, France
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H. Proudhon; N. Vaxelaire; S. Labat; S. Forest; O. Thomas. Finite element simulations of coherent diffraction in elastoplastic polycrystalline aggregates. Comptes Rendus. Physique, Volume 11 (2010) no. 3-4, pp. 293-303. doi : 10.1016/j.crhy.2010.07.009. https://comptes-rendus.academie-sciences.fr/physique/articles/10.1016/j.crhy.2010.07.009/

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