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Atomistic modeling was used to investigate the energetics and structure of the Bagaryatskii orientation relationship between ferrite and cementite within pearlite. The atomic level results show that the interface structure consists of a rectangular array of dislocations that lie along the high symmetry directions of the interface. The interface can be constructed using three different atomic terminating...
Atomistic modeling is used to investigate the energetics and structures of commonly reported orientation relationships between ferrite and cementite within pearlite: the Bagaryatskii, the Isaichev, and the Pitsch-Petch, as well as their associated near orientations. Dislocation arrays are found to form for all orientation relationships, with their spacing and direction a function of lattice mismatch...
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