A simulation study on the orientational phase transformation behavior of Au-Pt alloy for different concentration of Pt

Abstract

In this study, the AuxPt100-x (x = 90, 50, 10) model alloy system was modelled molecular dynamic (MD) simulation for different atomic concentration percentage of platinum (Pt). The potential energy function was used the Embedded Atom Method (EAM). The bond-type index method of Honeycutt–Andersen (HA) and cluster-type index methods (CTIM-1 and CTIM-2) was used to detect the crystal/amorphous-type polyhedrons. The phase transformation behavior of the model alloy system was examined by using local order symmetry based on bond orientational parameter. In addition, the structural development of system at a defined temperature was investigated by radial distribution function (RDF). The melting point of system was obtained by potential energy function and HA method during the heating. In this process, the α′, the α″ and the α′+ α″ phase regions for Au-Pt system was determined by bond orientational order parameter. The modelling results were compared with experimental results and the results demonstrate that the simulation calculations are in reasonable agreement with the experimental data.