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A path to model complex displacive transitions
C. Denoual1,2, N. Bruzy1,2
1-CEA, DAM, DIF, F-91297 Arpajon, France
2-Université Paris-Saclay, LMCE, F-91680 Bruyères-le-Châtel, France
Under shock loading, crystalline metals can accommodate stresses through very rapid microstructural transitions such as deformation twinning or martensitic phase transitions. These transformations occur via a collective movement of atoms (referred to as a "military" transition), typically resulting in a microstructure composed of long lamellae aligned along specific planes known as habit planes. The very limited number of crystallographic orientations observed during these transitions (e.g., 12 for twinning under shock in tantalum) arises from the limited number of possible deformation paths associated with these transitions (6 for tantalum twinning). Since these transitions lead to another well-defined crystalline structure, successive deformations can interlock, creating microstructures of remarkable complexity.
In this presentation, we will demonstrate that modeling such a transition can be achieved through a "reaction pathway graph" that represents the first n minimal-energy pathways connecting one stable phase to another. Several examples illustrating the richness of this approach will be discussed, particularly in the context of tantalum twinning under rapid loading conditions. In that case, deformation twinning is in competition with plasticity through the motion of dislocations, emphasizing the need for a detailed coupling between the graph of reaction pathways and crystal plasticity description.