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
Link To Document :
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