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

Year 2019, , 83 - 87, 27.12.2019

Fatih Ahmet Çelik , Ebru Tanboğa Korkmaz

https://doi.org/10.17678/beuscitech.643184

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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