
The potentials  in these  MDL files  represent Ar  interactions with  pure metal
metal targets. Unless stated otherwise,  the potentials use the uncorrected  ZBL
potential in the repulsive region. The  fcc potentials cut off before the  third
neighbour  distance. The  bcc potentials  cut off  before the  fourth neighbour
distance.

The switching function parameters have been estimated "by eye" using the general
criteria that are discussed in the Kalypso user guide. The author makes no claim
that the  switching function  parameters are  optimally adjusted.  Note: for bcc
metals, target stability may be improved if you cut the potentials off closer to
the third neighbour distance  (with the drawback that  this will create a  large
slope or force near the cut-off distance).

You can copy or edit these files for use in your own projects. You should  check
the parameters against the documented values in the User Guide before using them
for serious work.

FILE LIST

Ar-Cu.mdl [fcc] Ar-Ag.mdl [fcc] Ar-Ta.mdl [bcc] Ar-Mo.mdl [bcc] Ar-Pt.mdl [fcc]

Ar-Cu-DFT.mdl - The repulsive Ar-Cu  and Cu-Cu potentials are derived  from fits
to density functional theory calculations (by the author). These should be  more
accurate  than the  ZBL potential,  but can  only be  used for  Ar *bombardment
energies* up to 3.0 keV.