Investigation of low energy interphase boundaries in agni by computer simulation and crystallite rotation

Abstract

Using the embedded atom method, boundary energy calculations were done for (111)Ag//(001)Ni twist boundaries and interfaces between low-index planes of Ag and Ni. The E(θ) curve for (111)Ag//(001)Ni boundaries shows the existence of one deep cusp at θ = 0°, or at the variant θ = 30°. Experiments using the rotation of (111)Ag crystallites on (001)Ni film confirm this single cusp. Calculations for $\text{Ag}\text{Ni}$ interfaces containing low-index planes show that those containing the (111) plane have the lowest energy while those with the (110) are highest.