Abstract
We report atomistic studies of the deformation mechanisms in the crack tip region during low temperature fracture of bcc Fe single crystals. The large-scale simulations use empirical potentials to study the crack tip response. The twins are formed by the emission of partial dislocations in adjacent slip planes of the {112} type. In addition to twinning, the results show the nucleation of new grains in the crack tip region. The twinning and stress-induced recrystallisation phenomena are also observed in fully three-dimensional digital samples of nanocrystalline Fe.
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