The concentration effect of Pd and Pt-doped Cu on short range order formation in the rapid cooling process with molecular-dynamics simulation

Abstract

In this study, the formation of bonded pairs which represent amorphous and crystalline structures of Cu-Pd and Cu-Pt ordered alloy systems for different composition of copper was determined with molecular dynamic simulation method during the fast cooling process. The structural properties and phase transformation of systems at different temperatures were investigated with radial distribution functions. The structural formation of bonded pairs was obtained by using Honeycutt-Andersen (HA) method. Physical interactions among atoms were modelled using Sutton-Chen (SC) type of the Embedded Atom Method (EAM) based on many-body interactions. During the rapid cooling process, an amorphous phase conversion was observed at 300K and an increase in the number of bound pairs representing the amorphous phase was detected.

Keywords

• Molecular Dynamics,Bonded pairs,Honeycutt-Andersen (HA) method

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