Abstract
The Burgers circuit analysis has been implemented in atomistic modeling to extract crystal and grain-boundary dislocations simultaneously. The algorithm is designed to calculate the Burgers vector of grain-boundary dislocations in a bicrystal, and then modified to account for crystal dislocations in each component grain of the bicrystal. The approach is based on the assumption that there is a lattice correspondence between the two grains adjacent to the grain.. To calculate the Burgers vector, the local lattice transformation with atomic level inhomogeneities in the vicinity of a grain boundary is constructed in accordance with the Frank formula because both of them use the same lattice correspondences. The validity of this approach is illustrated by modeling of bicrystals with small- and large- angle grain boundaries and high dislocation density after nanoindentation.
