José Rui Faustino de Sousa
Oct12-06, 05:11 AM
Hi!
I need to find some references on "cluster growth" algorithms.
The simplest example would be the simple cubic lattice:
Zeroth shell 1 atom at 0,0,0
First shell 6 atoms at permutations (+/-1,0,0) (first neighbours)
Second shell 12 atoms at permutations (+/-1,+/-1,0) (second neighbours)
and so on.
This gets harder for more complicated structures like MacKay icosahedra
or decahedra.
The idea is to build clusters containing single species elements of a
determinate size with the inner shells completely filled and the last
one just partially filled in the best, energetically wise, way for the
chosen lattice geometry.
I have tried Google without any luck. The biggest problem is that I
really do not know the nomenclature.
Thank you very much.
Best regards
José Rui
I need to find some references on "cluster growth" algorithms.
The simplest example would be the simple cubic lattice:
Zeroth shell 1 atom at 0,0,0
First shell 6 atoms at permutations (+/-1,0,0) (first neighbours)
Second shell 12 atoms at permutations (+/-1,+/-1,0) (second neighbours)
and so on.
This gets harder for more complicated structures like MacKay icosahedra
or decahedra.
The idea is to build clusters containing single species elements of a
determinate size with the inner shells completely filled and the last
one just partially filled in the best, energetically wise, way for the
chosen lattice geometry.
I have tried Google without any luck. The biggest problem is that I
really do not know the nomenclature.
Thank you very much.
Best regards
José Rui