Title of article
Empirical Potentials for Modeling Solids, Surfaces, and Clusters
Author/Authors
Cox، Hazel نويسنده , , Johnston، Roy L. نويسنده , , Murrell، John N. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
-516
From page
517
To page
0
Abstract
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.
Keywords
extended framework , Dicyanamide , copper (II) , pyrazine. , structure , magnetism
Journal title
JOURNAL OF SOLID STATE CHEMISTRY
Serial Year
1999
Journal title
JOURNAL OF SOLID STATE CHEMISTRY
Record number
56387
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