Calculation of Lattice Relaxation in Some Substitutional Alloys Using a Green Function

In this paper we calculate nearest neighbour relaxation in some dilute substitutional alloys using a lattice static Green function and the Morse potential function. Distant neighbour relaxation is calculated by invoking a continuum approximation. The potential parameters for the unlike interactions are calculated using simple interpolation formulae. Using the above relaxation, we calculate volume changes in the above alloys. It is observed that the simple model predicts values which are in reasonably good agreement with the experimental values in all cases. The calculated values are also compared with those obtained from the Vegard law. For Au-Ag alloy, our model reproduces both the correct sign and the magnitude of the volume change, whereas the Vegard law cannot even give the sign of the volume change. This shows the inherent strength of the present model.