Energy and structure of (001) twist interphase boundaries in the Ag/Ni system

Computer calculations of coincidence (001) Ag/Ni twist interphase boundaries were performed with the Embedded Atom Method (EAM). The results show the variation of interfacial energy with azimuthal misorientation in the range 0–45°. Relative minima in the energy-misorientation curve are predicted; the lowest minimum is at 26.56°. Predicted low-energy boundaries at 4.4 and 26.56° are confirmed experimentally by the rotating crystallite method. The rotations of Ag crystallites on the (001) surface of a Ni thin film are determined by transmission electron microscopy with special use of double diffraction.