April 12 2003
2D local bond order parameters
2D local bond order parameters have been
calibrated for fcc {100}, {110}
and {111} facets. Five surface and sub-surface layers have been carried
out for the quenched configuration of icosahedral gold cluster
with 2624 atoms at 5K. They have all been found to be fcc {111} facets.
The same results have been got for that with 1409 atoms.
2D bond order parameters for various layers
The rule for an atom to be colored as with fcc {111} 2D local structure
(golden) is Q4>0.3 && Q4<0.5 && W4>0.1 && W4<0.2. Other atoms are
colored as gray.
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Layer 0 (surface layer)
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Layer 1 (sub-surface layer)
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Layer 2
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Layer 3
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Layer 4
Non-fcc packing of suface and sub-surface layers
Although sub-surface layer (layer 1) has 2D fcc {111} facet structure, it's
not recognized as 3D fcc structure. The reason is that the packing between
surface and sub-surface layers are not fcc like.
