A molecular dynamics calculation to cascade damage processes

  • Hiwa Mohammad QADR University of Raparin, Sulaimanyah, Iraq
Keywords: displacement cascade, primary damage, Morse potential, molecular dynamics


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.

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How to Cite
QADR HM. A molecular dynamics calculation to cascade damage processes. The Annals of “Dunarea de Jos” University of Galati. Fascicle IX, Metallurgy and Materials Science [Internet]. 15Dec.2020 [cited 28Nov.2021];43(4):13-6. Available from: https://www.gup.ugal.ro/ugaljournals/index.php/mms/article/view/4031