OptiDis: Toward fast anisotropic dislocation dynamics based on Stroh formalism

Pierre Blanchard (1, 2) , Arnaud Etcheverry (1) , Olivier Coulaud (2, 1) , Laurent Dupuy (3) , Marc Bletry (4)

1 HiePACS - High-End Parallel Algorithms for Challenging Numerical Simulations
2 LaBRI - Laboratoire Bordelais de Recherche en Informatique
3 SRMA - Service des Recherches Métallurgiques Appliquées
4 ICMPE - Institut de Chimie et des Matériaux Paris-Est

Dislocation Dynamics (DD) simulations in the hypothesis of isotropic elasticity have proved great reliability in order to predict the plastic behaviour of crystalline materials. However it is often the case at high temperature (for instance in irradiated BCC iron) that the structural properties of a material will be better described using full anisotropic treatment of the elastic interaction between dislocations. The computation of the internal elastic forces is by far the most resources consuming step in DD simulations, which is even more true for anisotropic elasticity in the absence of explicit Green's function. L. Dupuy, J. Soulacroix and M. Fivel showed that the approaches based on Willis-Steed-Lothe or Brown formulae can be accelerated using spherical harmonics expansions of the Stroh matrices. This feature was implemented in the DD code OptiDis in order to power the anisotropic forces computation. Here we recall the formalism and we discuss optimizations, performances as well as motivations for future developments.\\

Mots clés: spherical harmonics; Stroh formalism; anisotropic elasticity; Dislocation Dynamics Simulations

Domaines: Modélisation et simulation; Algorithme et structure de données [cs.DS]; Matériaux et structures en mécanique [physics.class-ph]

Pierre Blanchard, Arnaud Etcheverry, Olivier Coulaud, Laurent Dupuy, Marc Bletry. OptiDis: Toward fast anisotropic dislocation dynamics based on Stroh formalism. International Workshop on dislocation dynamics simulations, Dec 2014, Saclay, France. ⟨hal-01095322⟩