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Empirical potentials for modelling solids, surfaces and clusters

journal contribution
posted on 2023-06-07, 19:49 authored by Hazel CoxHazel Cox, Roy L Johnston, John N Murrell
A review of studies that have been made using the Murrell–Mottram two-plus-three-body empirical potential is presented. The explicit many-body nature of the potential is described and the fitting of these potentials to experimental data on one or more solid phases is detailed. Comparisons are made between potentials for various nonmetallic and metallic elements, from which trends in the parameters defining the potentials can clearly be seen. Examples of the many applications of these potentials to the study of solids (relative stabilities and phase transitions), surfaces (energies, relaxation and reconstructions), melting (both of the bulk and of the surfaces), and clusters (structures, growth, and dynamics) are given.

History

Publication status

  • Published

Journal

Journal of Solid State Chemistry

ISSN

0022-4596

Publisher

Elsevier

Volume

145

Page range

517-540

Department affiliated with

  • Chemistry Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

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