• Title of article

    Transferable individual local pseudopotential for expanded liquid metals

  • Author/Authors

    Grosdidier، نويسنده , , B. and Al-Busaidi، نويسنده , , M.S. and Osman، نويسنده , , S.M.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    4
  • From page
    3484
  • To page
    3487
  • Abstract
    The evanescent-core individual EC(I) local pseudopotential proposed by Fiolhais et al., which was originally developed for solid state, is transferred into the expanded liquid state for Na, K, Rb and Cs. The dominant parameters R and α of EC(I) pseudopotential are made density dependent with the help of two conditions: (1) the stabilized jellium model with respect to the average valance-electron density parameter rs, (2) the enthalpy of the liquid should equal to realistic values at the same rs prediction of the stabilized jellium with effective valance Z∗ equals to one. We test the validity of our method by consulting the computer simulation effective pair-potential at melting point and the empirical entropy at the whole temperature range available for expanded liquids Na, K, Rb and Cs.
  • Keywords
    Liquid crystals and molecular liquids , Liquid alloys and liquid metals , Electrical and electronic properties , Modeling and simulation
  • Journal title
    Journal of Non-Crystalline Solids
  • Serial Year
    2007
  • Journal title
    Journal of Non-Crystalline Solids
  • Record number

    1381533