LAUSR

The atomic interactions between Si and Mn during eutectoid transformation in high-carbon pearlitic steel were investigated. Atom probe tomography and first-principles calculations were applied to evaluate and analyze the atomic interactions at the ferrite/cementite interface. In the initial stage of eutectoid transformation, enrichment of Si and Mn occurred at the ferrite and cementite sides, respectively, of the interface. This interfacial segregation phenomenon gradually diminished as the transformation proceeded. Calculations of the cohesive energy and formation energy revealed a clear enhancement in the chemical bonding and stability of the pearlite system when the Si atom was moved from the ferrite layer to the cementite layer and the Mn atom was moved in the opposite direction. The interfacial segregation of the Mn and Si atoms was mainly responsible for the insufficient diffusion and high hybridization degree of Fe, Mn, Si, and C atoms. Furthermore, the partitioning ratio of Mn in high-Si steel was greater than that in low-Si steel, leading to greater partitioning of Mn into the cementite phase. Calculations of the electronic structure revealed that the enrichment of Si in the ferrite phase promoted the partitioning of Mn into the cementite phase owing to the strong repulsive force between Mn and Si at the pearlitic interface.The atomic interactions between Si and Mn during eutectoid transformation in high-carbon pearlitic steel were investigated. Atom probe tomography and first-principles calculations were applied to evaluate and analyze the atomic interactions at the ferrite/cementite interface. In the initial stage of eutectoid transformation, enrichment of Si and Mn occurred at the ferrite and cementite sides, respectively, of the interface. This interfacial segregation phenomenon gradually diminished as the transformation proceeded. Calculations of the cohesive energy and formation energy revealed a clear enhancement in the chemical bonding and stability of the pearlite system when the Si atom was moved from the ferrite layer to the cementite layer and the Mn atom was moved in the opposite direction. The interfacial segregation of the Mn and Si atoms was mainly responsible for the insufficient diffusion and high hybridization degree of Fe, Mn, Si, and C atoms. Furthermore, the partitioning ratio of Mn in high-Si steel was...