Deformation-induced phase transformation and twinning in Fe and Fe–C alloys

The phase transformations and twinning in a nano-sized face-centred cubic (FCC) crystal of iron with different carbon contents are studied by molecular dynamic (MD) simulations. The simulation cells are stretched uniaxially along the [100]FCC direction. It is found that the FCC matrix transforms into the body-centred cubic (BCC) phase following the Nishiyama–Wassermann orientation relationship (OR). Then, the ‘BCC↔hexagonal close-packed (HCP)’...