Trends in the compressibility of X₃Al (X = Pt, Os, Ru, Ir, Rh) compounds from 0 – 2000 K

Abstract

The compressibility of five compounds in the stoichiometry X₃Al was evaluated from 0K to 2000K using the molecular dynamics calculation techniques. The results showed that Pt₃Al and Ir₃Al would exhibit better
strength than Os₃Al, Ru₃Al or Rh₃Al. Compared with Ni₃Al. All the investigated compounds had higher  compressibility. In obtaining the results, all electron and ion pair interactions were solved within the embedded
atom model framework, using the Sutton and Chen potentials.

Keywords: Compressibility, Hardness, Molecular Dynamics, DL-POLY, Sutton-Chen.