Abstract:
The numerical method is proposed for measurement in computer simulations integral characteristics of atomic clusters. It is assumed that characteristic has the form of an integral of arbitrary
function over the cluster volume. As an example the method for shape measurement based on the
global features of an object, namely, its geometrical moments is described. For equilibrium
atomic clusters with interparticle interaction described by Lennard–Jones potential general trends
in their form variation with number of particles in cluster are studied. It is shown that the proposed method for such clusters correctly reproduces the size oscillations and the sequence of
magic numbers.
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