Cohesive zone modeling of intergranular cracking in polycrystalline aggregates

Understanding and controlling early damage initiation and evolution are amongst the most important challenges in nuclear power plants, occurring in ferritic, austenitic steels and nickel based alloys. In this work a meso-scale approach to modeling initiation and evolution of early intergranular cracking is presented. This damage mechanism is present in a number of nuclear power plant components and depends on the material (e.g. composition, heat treatment, microstructure), environment and load. Finite element modeling is used to explicitly model the microstructure - both the grains and the grain boundaries. Spatial Voronoi tessellation is used to obtain the grain topology. In addition, measured topology of a 0.4 mm stainless steel wire is used. Anisotropic elasticity and crystal plasticity are used as constitutive laws for the grains. Grain boundaries are modeled using the cohesive zone approach. Different modeling assumptions/parameters are evaluated against the numerical stability criteria. The biggest positive contribution to numerical stability is the use of cohesive-type contact instead of cohesive elements. A small amount of viscous regularization should be also used along with the addition of a small amount of viscous forces to the global equilibrium equations. Two cases of grain boundary damage initiation are explored: (1) initiation due to normal separation and (2) initiation due to a combination of normal and shear separation. The second criterion significantly decreases the ductility of an aggregate and slightly improves the numerical stability.