Unbiased fuzzy global optimization of Morse clusters with short-range potential for N ≤ 400

Global optimization of Morse clusters with shortrange potential is a great challenge. Here, we apply our recently developed unbiased fuzzy global optimization method to systematically study Morse clusters with the potential range ρ = 14 and the number of atoms N up to 400. All the putative global mi...

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Bibliographic Details
Published in:Chinese journal of chemical physics 2021-12, Vol.34 (6), p.896-904
Main Authors: Chen, Liping, Wang, Linjun
Format: Article
Language:English
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Summary:Global optimization of Morse clusters with shortrange potential is a great challenge. Here, we apply our recently developed unbiased fuzzy global optimization method to systematically study Morse clusters with the potential range ρ = 14 and the number of atoms N up to 400. All the putative global minima reported in the literature have been successfully reproduced with relatively high success ratios. Compared to the available results for N ≤ 240 and several larger Morse clusters, new global minima (and local minima) with lower energies have been found out for N = 164, 175, 188, 193, 194, 197, 239, 246, 260, 318, and 389. Clusters with magic numbers are figured out through fitting the size-dependent global minimum energies. The cluster structures tend to be close-packed for short-range potential with large N.
ISSN:1674-0068
2327-2244
DOI:10.1063/1674-0068/cjcp2110210