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The interaction of nano-scale cracks with grain boundaries in α-Fe were studied using symmetric tilt grain boundaries with [112¯] and [1¯10] tilt axis. For each tilt axis four types of grain boundaries were chosen – low angle, general high angle, Σ3 and Σ11. A crack perpendicular to the boundary plane was introduced between the two boundaries. The grain boundaries were equilibrated using molecular...
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