Comparison of molecular dynamics and binary collision approximation simulations for atom displacement analysis

@article{Bukonte2013ComparisonOM,
  title={Comparison of molecular dynamics and binary collision approximation simulations for atom displacement analysis},
  author={L. Bukonte and F. Djurabekova and J. Samela and K. Nordlund and S. Norris and M. Aziz},
  journal={Nuclear Instruments \& Methods in Physics Research Section B-beam Interactions With Materials and Atoms},
  year={2013},
  volume={297},
  pages={23-28}
}
  • L. Bukonte, F. Djurabekova, +3 authors M. Aziz
  • Published 2013
  • Chemistry
  • Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms
Molecular dynamics (MD) and binary collision approximation (BCA) computer simulations are employed to study surface damage by single ion impacts. The predictions of BCA and MD simulations of displacement cascades in amorphous and crystalline silicon and BCC tungsten by 1 keV Ar + ion bombardment are compared. Single ion impacts are studied at angles of 50 , 60 and 80 from normal incidence. Four parameters for BCA simulations have been optimized to obtain the best agreement of the results with… Expand

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