Abstract
The structure of incoherent Σ =3 (112) twin boundaries in the austenitic stainless steel is studied using the total energy calculation scheme based on the tight-binding recursion method and the model fcc iron crystal. The total energy of the system is assumed to be given by a sum of the band structure energy and short range repulsive energy contributions. The three different atomic structures of the incoherent twin boundaries are introduced in γ -Fe crystal, i.e., type A with mirror symmetry, type B with rigid body translation component with respect to the (112) boundary plane and type C of bending structure with gradual atomic displacements parallel to the boundary plane. It is shown that the bending type of incoherent twin boundary structure is stable in the γ -Fe crystal, in agreement with the recent experimental observations.
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