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In this paper, the effect of twin boundaries on the crack growth behaviour ofsingle crystal BCC Fe has been investigated using molecular dynamicssimulations. The growth of an atomically sharp crack with an orientation of(111)$<$110$>$ (crack plane/crack front) has been studied under mode-I loadingat constant strain rate. In order to study the influence of twin boundaries onthe crack growth behaviour, single and multiple twin boundaries were introducedperpendicular to crack growth direction. The results indicate that the(111)$<$110$>$ crack in single crystal BCC Fe grows in brittle manner. However,following the introduction of twin boundaries, a noticeable plastic deformationhas been observed at the crack tip. Further, increasing the number of twinboundaries increased the amount of plastic deformation leading to better crackresistance and high failure strains. Finally, an interesting relationship hasbeen observed between the crack growth rate and flow stress.

Atomistic simulations of twin boundary effect on the crack growth behaviour in BCC Fe