Role of planar faults in martensite formation in nano-polycrystalline iron by molecular dynamics simulation

Abstract The martensitic transformation in pure Fe and its alloys has been studied over many decades. Several theoretical models have proposed to describe the atomic motion that leads fcc-to-bcc transformation. However, such do not account for effect of pre-existing planar defects as twin boundaries stacking faults, present high-temperature austenite phase prior process. This work systematically studies role nano-spaced faults with different inter-spacing on using molecular dynamics simulations. Research shows investigated affect nucleation growth mechanisms during martensite formation, morphology resulting microstructure, specific path leading transformation, start temperatures. Martensite variants were identified by analysis shears slip systems A crystallographic is done explain existence shear at locations fcc austenite. investigation provides fundamental insights into process presence can be applied other material systems, e.g., alloys.