Journal article
Structural trends in clusters of quadrupolar spheres
Molecular Physics: A Special Issue in Honour of Professor Anthony J. Stone, Vol.106(12-13), pp.1655-1664
06/20/2008
DOI: 10.1080/00268970802270067
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.
Details
- Title: Subtitle
- Structural trends in clusters of quadrupolar spheres
- Creators
- Mark A Miller - University Chemical LaboratoriesJames J Shepherd - University Chemical LaboratoriesDavid J Wales - University Chemical Laboratories
- Resource Type
- Journal article
- Publication Details
- Molecular Physics: A Special Issue in Honour of Professor Anthony J. Stone, Vol.106(12-13), pp.1655-1664
- DOI
- 10.1080/00268970802270067
- ISSN
- 0026-8976
- eISSN
- 1362-3028
- Publisher
- Taylor & Francis Group
- Language
- English
- Date published
- 06/20/2008
- Academic Unit
- Chemistry
- Record Identifier
- 9983985869102771
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