Abstract

We present results of 3D molecular dynamic (MD) simulations accompanied by stress calculations on the atomistic level in 3D bcc iron crystals with edge cracks (1¯10)[110]. Two different crack lengths in samples of SEN type loaded uniaxially in mode I were treated with negative and positive values of T-stress according to the continuum prediction by Fett for constant stress boundary condition. Atomistic results are compared with continuum predictions, including influence of T-stress on the ductile-brittle behavior of cracks.

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