Journal of Material Sciences & Engineering

Nuclear Engineering Department, University of New Mexico, USA

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• Research   
  Irradiation effect Predictions in MgO using Molecular Dynamics Simulations of Incident Single and Multiple Au Ions
  Author(s): Mohamed S. El-Genk* and Benjamin J. Cowen
  
  This paper investigates radiation effects in MgO using molecular dynamics (MD) simulations by single, 5 and 10 incident Au ions of energies ranging from 5-20 keV. The simulations employed a splined Buckingham+ZBL potential. The directional dependence of the threshold displacement energies (TDEs) for Frenkel pair formation and the TDE probability distributions for the displacement of an atom are calculated for both PKA types. The determined TDEs corresponding to 50% displacement probability of an atom by O and Mg PKAs are 94 eV and 91 eV, respectively. The effects of radiation by multiple ions are compared to those by 5-50 keV single Au ions. While the length of the produced defect cascade increases proportional to the total energy deposited, the volume of the defect clusters depends on the number of incident ions. For the same total energy, the volumes of the defect clusters produced .. Read More»
  

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