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arXiv · 0806.2579

Structural trends in clusters of quadrupolar spheres

Mark A. Miller·James J. Shepherd·David J. Wales
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Abstract

The influence of quadrupolar interactions on the structure of small clusters is investigated by adding a point quadrupole of variable strength to the Lennard-Jones potential. Competition arises between sheet-like arrangements of the particles, favoured by the quadrupoles, and compact structures, favoured by the isotropic Lennard-Jones attraction. Putative global potential energy minima are obtained for clusters of up to 25 particles using the basin-hopping algorithm. A number of structural motifs and growth sequences emerge, including star-like structures, tubes, shells and sheets. The results are discussed in the context of colloidal self-assembly.

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Mark A. Miller, James J. Shepherd, David J. Wales. 2008-06-16. Structural trends in clusters of quadrupolar spheres. https://doi.org/10.1080/00268970802270067

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