The Pressure Effect on Glass Formation and Cluster Structure Evolution during Cooling Process of PdNi Alloy: A Molecular Dynamics Study

Abstract

Based on the embedded atom method a molecular dynamics simulation technique has been used to study the glass formation and atomic short range order in Pd-Ni binary alloy. By using radial distribution functions and Honeycutt-Andersen pair analysis methods, the structural development of this alloy is studied by quenching from the liquid at two different cooling rates and under 0 and 5 GPa pressures. The results show that the variation of local atomic bonded pairs is of great importance to understand the glass formation process and increase of the number of the ideal icosahech-a under high pressure contributes to more ideal glass formation of model alloy.