The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics

Abstract

This work aims to investigate the effect of Pt concentration on the crystal growth mechanism of a Platinum-Palladium (Pt-Pd) binary alloy system during the annealing process; starting from the amorphous phase to some definite temperatures. The calculations have been performed by using molecular dynamic (MD) simulations. Interatomic interactions are described by the Sutton-Chen type Embedded Atom Potential Energy function. In order to understand the main structural properties at the stable and unstable phases; changes in radial distribution function (RDF) curves versus time have been analyzed for different annealing temperatures. Crystalline type bonded pairs have been determined using MD calculations which is required for the computation of Avrami coefficients and for understanding crystal growth mechanism. The results demonstrate that the increase in concentration of Pt during annealing leads to migration of atoms in the crystal lattice points; elimination of dislocations and formation of perfect crystal structure.