
SNOOK EXAMPLE: ARCU100 project
==============================

This is a 'toy' project, insofar as it only involves simulation of 9
trajectories. The primary ion is 5 keV Ar, normally incident on a
Cu(100) target (810 atoms: 9x9 surface, 10 layers deep). The starting
positions (in ) of the primary ion in the surface (xy) plane are found
in the file ARCU100.IMP:

     x             y     z
 5.00E-0002  5.00E-0002 2.0 
 5.00E-0002  2.67E-0001 2.0
 5.00E-0002  4.83E-0001 2.0
 2.67E-0001  5.00E-0002 2.0
 2.67E-0001  2.67E-0001 2.0
 2.67E-0001  4.83E-0001 2.0
 4.83E-0001  5.00E-0002 2.0
 4.83E-0001  2.67E-0001 2.0
 4.83E-0001  4.83E-0001 2.0

 The ranges are purely arbitrary, apart from the fact that they all
 involve fairly hard collisions with the Cu target.

 The simulation simply outputs dynamical variables information for
 the projectile. The file ARCU100.DAT contains trajactory plots in
 the xz plane, which were obtained from the output file (DYNVARS.DAT)
 by using WINNOW's Convert menu option. (Another program (PRISM) was
 used to extract the columns and ranges of interest out of the
 resulting .DAT file.) Load this file into a point graphing program
 (e.g. MDIPLOT) to view the output (don't graph lines, because of
 the flyback effect).

 You can try running this simulation on your own machine. For a 120 MHz
 Pentium it should take around 13 min to run all 9 trajectories. The
 average (cumulative) energy conservation should be around 0.2%. The
 simulations terminate when the slowest atom energy falls below 2 eV.

 The file LOGFILE.TXT contains the screen output (which was redirected
 to a disk file using SNOOK's Output Files|Screen Output option).

 General simulation conditions
 =============================

 5 keV Ar -> Cu(100) (810 atoms), normal incidence
 Potential cuts off at 3.7 
 Uses ZBL potential for Ar-Cu
 Uses Moliere potential for short-range Cu-Cu interaction
      Morse potential for long-range Cu-Cu interaction
      Cubic spline in intermediate region (1.5-1.988 )
 Thermal vibrations: Yes
 Termination conditions: E < 2 eV or time elapsed > 300 fs

