Extreme clusters of grains in random microstructures of polycrystals

It was experimentally observed that in polycrystalline materials under low macro loading of the specimen the first sites of failure initiation take place in the specific clusters of few grains. In some grains of these extreme clusters, the local (meso-) strains and stresses are high enough to cause first damages or plastic slips. In the stochastic microstructure of polycrystals, the formation of an extreme cluster is random and rare. Nevertheless, they govern the failure process initiation and can severely affect the reliability of polycrystalline machine parts. It is time and resource consuming to search and investigate extreme clusters on the real specimens of polycrystalline materials experimentally. A theoretical tool is desirable. Here we present the powerful computational method to look for extreme clusters, to investigate their possible patterns, and to evaluate the absolute maximums of local strains/stresses that can be achieved in these clusters. The experimentally observed clusters consist of few (3-4) preferably oriented neighboring grains or even of one big supergrain. The strain and stress bursts arise due to an interaction of the grains. One can expect that in bigger clusters, larger local bursts of fields can be generated. We found the typical forms of the extreme clusters (small and big) in four different polycrystals with grains of a weak and strong anisotropy for the case of uniaxial tension. In all regarded cases, the extreme clusters have the forms of the symmetrical patterns. In big clusters of highly anisotropic grains, the maximum of mesostrain exceeds the macrostrain by several times. In clusters of weakly anisotropic grains, the local strain concentration is rather moderate (tens of percents).