The structure of the (001) fcc/ (001) fcc interphase boundary of a system consisting of a hemispherical Ni (or Cu) crystal nanoparticle and a Pd crystal substrate was studied depending on the nanoparticle rotation angle θ = 15°, 20°, 25°, and 30°. A molecular dynamics simulation including multiparticle potentials calculated in the framework of the embedded atom method was used in this study. It was shown that, under given annealing conditions, the nanoparticle rotation depends on the size; namely, the annealing of small nanoparticles leads to their rotation to the position corresponding to the coincidence orientation at the interphase boundary, while the position of large islands remains practically unchanged. It was established that the atomic rearrangement at the interphase boundary affects only lattices with a larger parameter.
Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques Vol. 2, Issue 1, p. 127-132