Abstract
The structure of incoherent C=3 (112) twin boundaries in the austenitic stainless steel is investigated using the tight-binding recursion method and the model £cc iron crystal. To estimate the change in the total energy due to the atomic displacements, 15 pairs of recursion coefficients (an,bn; ns15) are calculated for the atomic clusters containing 2100 atoms:~he short-range repulsive energy contribution is also taken into account using the Born-Mayer potential. It is found that the significant rigid body translation occurs parallel to the boundary plane together with the excess volume displacements for the (112) incoherent twin boundaries in y-Fe. The occurence of the rigid body translation is shown to result from the reduced density of heavily distorted bonds and reduced local d-band deformation around the incoherent twin boundary.
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