Calculation of Interfacial Energy of the fcc-bce Interface and Its Epitaxial Orientation Relationship

The numerical calculation of interfacial energy of the fcc-bcc interface has been carried out using a simple two-dimensional interaction potential energy. The results of the calculation for Ag/Mo and Ag/Fe systems by the new model are in good agreement with the experimental evidence, i.e., the Kurdjumov-Sachs orientation relationship and Nishiyama-Wassermann orientation relationship, respectively. Moreover, a prediction of the preferred orientation of epitaxy for various combinations can be made from the dependence of the interfacial energy on bulk atomic diameter ratio between fcc and bcc.