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Molecular dynamics simulations are performed to investigate the structuralphase transition in body-centered cubic (bcc) single crystal iron under highstrain rate loading. We study the nucleation and growth of thehexagonal-close-packed (hcp) and face-centered-cubic (fcc) phases, and theircrystal orientation dependence. Results reveal that the transition pressuresare less dependent on the crystal orientations ($\mathtt{\sim}$14 GPa forloading along [001], [011], and [111] directions). However, the pressureinterval of mixed phase for [011] loading is much shorter than loading alongother orientations. And the temperature increased amplitude for [001] loadingis evidently lower than other orientations. The hcp/fcc nucleation process ispresented by the topological medium-range-order analysis. For loading along[001] direction, we find that the hcp structure occurs firstly and grows intolaminar morphology in the (011)$_{\text{bcc}}$ planes with a little fcc atomsas intermediate structure. For loading along [011] and [111] directions, boththe hcp and fcc structures nucleation and growth along the\{110\}$_{\text{bcc}}$ planes are observed, whose morphology is also discussed.

Molecular dynamics study of hcp/fcc nucleation and growth in bcc iron driven by uniaxial strain