Cohesive Based Surface Approach For Grain Boundary Modelling

Computational modeling techniques are now widely employed in material science, mainly due to recent advances in computing power and simulation methodologies, since they can enable rapid testing of theoretical predictions or understanding of complex experimental data at relatively low costs. In multiscale modeling, the goal is to predict the performance and behavior of complex materials across all relevant lengths and time scales, starting from fundamental physical principles and experimental data. Such methods can simulate the polycrystalline aggregates of a few hundred or even thousand grains and are receiving increasing support from the non-destructive experimental techniques such as X-ray diffraction contrast tomography. Intergranular cracking of a polycrystalline material depends on the loading conditions, the microstructure and the mechanical behaviour of grains and grain boundaries. To simulate faithfully the behaviour of such polycrystals, especially the initiation and early propagation nature of the so-called microstructurally short cracks, polycrystalline aggregate models are being developed where proper discretization of grain interiors as well as grain boundaries is required. The core of the proposed paper presented here investigates a possible approach to model the progressive damage along the grain boundaries. Thus, explicit finite elements model are being developed, which represent the grain boundaries with a cohesive based surface approach where the microscopic information is summarized in the form of traction-displacement relationship. Geometric models of the microstructure are generated using Voronoi tessellations.

UPLAZNIK Mihaela Irina;  CIZELJ Leon;  SIMONOVSKI Igor; 

2013-01-10

Nuclear Society of Slovenia

JRC77191