• Title of article

    Atomic ordering recognized by convergence characteristics of the radial distribution function

  • Author/Authors

    Yang، نويسنده , , Yong and Takahashi، نويسنده , , Masae and Kawazoe، نويسنده , , Yoshiyuki، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2008
  • Pages
    4
  • From page
    468
  • To page
    471
  • Abstract
    Convergence characteristics of the radial distribution function (RDF) in a condensed phase have been studied theoretically. Using a canonical ensemble, the reversible work theorem for the RDF is deduced in a new way, which interprets the reversible work in a fresh aspect. The radius of convergence of the RDF is defined. For periodic structures such as crystals, convergence of the RDF is strongly correlated with atomic ordering therein. This correlation is demonstrated by comparing the structural properties of SiO2 crystal, with the RDF of Al doped SiO2 structure and amorphous SiO2.
  • Keywords
    D. Simulation , C. Non-crystalline structure , D. Radial distribution function , D. Atomic ordering
  • Journal title
    Solid State Communications
  • Serial Year
    2008
  • Journal title
    Solid State Communications
  • Record number

    1764281