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Brittle to ductile transition in the fracture process of an $$alpha$$-iron single crystal containing a grain boundary; Molecular dynamics simulation

Kaburaki, Hideo; Kadoyoshi, Tomoko; Itakura, Mitsuhiro  ; Yamaguchi, Masatake   

Many single crystal metals intrinsically exhibit brittle-to-ductile transition (BDT) as a function of temperature and strain rate. These materials are generally brittle at low temperatures or high strain rates, and become ductile as the temperature rises or the strain rate decreases. Since the atomistic picture of brittle-to-ductile transition is still unknown, we have performed molecular dynamics simulations on the fracture process of iron single crystal by varying the temperature and strain rate in a wide range. From the atomistic results, we have found that the transition point shifts to the higher temperature due to the high strain rate.

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