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Cited by 395

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The effect of the range of the potential on the structures of clusters

Doye, Jonathan P. K., Wales, David J., Berry, R. Stephen·1995·The Journal of Chemical Physics
DOI 10.1063/1.470729
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Abstract

We investigate the structures of clusters bound by the Morse potential by mapping the structure of the global minimum as a function of both cluster size and the range of the pair potential. We consider values of the range parameter appropriate to a loosely bound diatomic molecule (longest), two C60 molecules (shortest), and at regular intervals between these two limits. We have studied all cluster sizes with 25 atoms or less and a selection of sizes containing between 35 and 80 atoms. The effect of decreasing the range of the potential is to destabilize strained structures. For the larger clusters the structure of the global minimum changes from icosahedral to decahedral to face-centered cubic as the range is decreased. We have also investigated the effects of temperature on the equilibrium structure by performing a model calculation for a 75-atom cluster.

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Metadata

Authors
Doye, J. P. K., Wales, D. J., & Berry, R. S.
Venue
The Journal of Chemical Physics
Publisher
AIP Publishing
Published
1995-09-08
Volume
103
Issue
10
Pages
4234-4249
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
DOI
10.1063/1.470729
OpenAlex
W2045845830
Cited by
395
References
0
FWCI
13.89
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: The effect of the range of the potential on the structures of clusters. https://app.cochat.ai/papers/10.1063/1.470729
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Doye, J. P. K., Wales, D. J., & Berry, R. S. (1995). The effect of the range of the potential on the structures of clusters. The Journal of Chemical Physics. https://doi.org/10.1063/1.470729

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.