Molecular dynamics simulations of threshold displacement energies in Fe

@inproceedings{Nordlund2006MolecularDS,
  title={Molecular dynamics simulations of threshold displacement energies in Fe},
  author={Kai Nordlund and Janne Wallenius and Lorenzo Malerba},
  year={2006}
}
We compare systematically the threshold displacement energy surface of 11 interatomic potentials in Fe. We discuss in detail different possible definitions of threshold displacement energies, and how they relate to different kinds of experimental threshold displacement energies. We compare the threshold results to experiments, and find that none of the 11 tested potentials agrees fully with experiments. However, all the potentials predict some qualitative features in the same way, most… CONTINUE READING

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