Abstract
We compare systematically the threshold displacement energy surface of eleven
interatomic potentials in Fe. We discuss in detail different possible defnitions of
threshold displacement energies, and how they relate to different kinds of threshold
displacement energies. We compare the threshold results to experiments, and find
that none of the eleven tested potentials agrees fully with experiments. However, all
the potentials predict some qualitative features in the same way, most importantly
that the threshold energy surface close to the 100 crystal direction is flat and that
the largest threshold energies occur around very roughly the 123 crystal direction.
Details
Original language | English |
---|
Pages (from-to) | 322-332 |
---|
Journal | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms |
---|
Volume | 246 |
---|
Issue number | 2 |
---|
DOIs | |
---|
Publication status | Published - 17 Feb 2006 |
---|