• Title of article

    Modeling the cohesive energy and melting point of nanoparticles by their average coordination number

  • Author/Authors

    M. Attarian Shandiz، نويسنده , , M. and Safaei، نويسنده , , A. and Sanjabi، نويسنده , , Marna S. and Barber، نويسنده , , Z.H.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2008
  • Pages
    6
  • From page
    432
  • To page
    437
  • Abstract
    We present a relation between the average coordination number and the cohesive energy for nanoparticles that shows that the ratio of nanoparticles cohesive energy to the bulk value is equal to the ratio of the nanoparticles average coordination number to that of the bulk. We consider the effect of lattice and surface packing factors on the average coordination numbers of the atoms in the nanoparticle. The melting temperature of nanoparticles has been calculated from the obtained relation for cohesive energy, and predictions for the cohesive energy and melting temperature of the nanoparticles have been compared with other theoretical models and available experimental data and the results of molecular dynamics simulations.
  • Keywords
    C: Crystal structure , D: Thermodynamic properties , A: Nanostructures
  • Journal title
    Solid State Communications
  • Serial Year
    2008
  • Journal title
    Solid State Communications
  • Record number

    1764159