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Abstract
The pronounced mechanical property of pearlitic steels highly correlates with the ferrite (bcc-Fe)/cementite (Fe3C) boundaries inside. Unraveling the interface structure at an atomic level is essential for interpreting the material’s property. In the present study, using aberration-corrected scanning/transmission electron microscopy combined with density functional theory calculations, we reveal the atomic configuration as well as the electronic structure of the Fe/Fe3C interfaces with the Isaichev orientation in pearlite. The interface with terminating layer Fe–C–Fe in cementite has the lowest energy due to the formation of interfacial Fe–C bonds. Terrace steps which are frequently observed at the interfaces would not break the lattice match between the two phases.
Acknowledgement
The authors gratefully acknowledge the support of Sunnywell (China) New Material Technology Co. Ltd. for providing steel wire samples and the discussion with Mr. G. L. Zhang. We are also grateful to Mr. B. Wu and Mr. L.X. Yang at this institute for technical supports during the TEM observation. S.J.Z acknowledges the ‘Hundred Talents’ Projects of Chinese Academy of Sciences and ‘Thousand Youth Talents Plan’ of China.