A molecular dynamics calculation to cascade damage processes

Abstract

In this work, Molecular dynamics simulation was performed to study the cascade damage evaluation initial from a 250 eV Primary Knock-on Atoms (PKAs) in gold. For this purpose, the simulations were carried out using the molecular dynamics code GRAPE to study the cooling phase of a cascade from the thermodynamic point view. Interatomic interaction of the cascade was investigated by the Morse potential and it is found that during the cooling phase of the cascade local equilibrium was realized.

Keywords

• displacement cascade
• primary damage
• Morse potential
• molecular dynamics