Molecular dynamics simulations have been used to investigate the coupling process between plasticity and structural phase transformation in single-crystal iron under both shock and ramp compressions. In both cases, iron was found to yield via twinning. Then, the onset of the bcc-hcp phase transformation was shown to be tightly dependent on the plasticity history through a hardening-like effect, which in some conditions may inhibit the nucleation of the hcp phase.

• Received 23 January 2018
• Revised 14 June 2018

DOI:https://doi.org/10.1103/PhysRevB.98.024104