April 03 2003
Supplement of summary of faceting paper
Some more complete results as the supplement of Dr. Teitel's
summary of
faceting paper are provided below.
Icosahedral order from bulk bond orientation
Surface stays ordered up to melting, from surface bond orientation
With the results of 1050K and 1075K, we may say the bond oder parameters change
from solid to liquid in a very narrow temperature range, which is after the
diffusion of surface atoms but before complete melting.
Diffusion of atoms, layer by layer
The glitches are caused by the (programmingly) discontinuous simulation
procedure, which made incorrect time intervals between two simulations. I
think the continuous simulations only show there are nothing new with longer
runs (462 configurations), so we can just use the first 100 configurations
to present the results. The time interval between two consecutive
configurations is 35.75ps.
Interlayer diffusion of atoms
Ellipsoid representation of diffusion
The picture is here.