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Method for measurement of the nanocluster form within atomistic computer simulation

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Author(s): A.I. Kul’ment’ev | O.P. Kul’ment’eva

Journal: Journal of Nano- and Electronic Physics
ISSN 2077-6772

Volume: 1;
Issue: 3;
Date: 2009;
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Keywords: Computer simulation | reactor material science | nanophysics | space-time levels | nanocluster | moment-of-inertia tensor

ABSTRACT
Numerical technique for measurement the form of local atomic formation with well-defined exterior boundary was presented. Algorithms were analyzed, necessary software was developed and tested for the model clusters. For the series of equilibrium clusters with Lennard-Jones interparticle interactions the form of clusters was measured. It was shown that for such clusters within the framework of proposed method both the oscillations of size-dependent properties and sequence of magic numbers are correctly reproduced.
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