• 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