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  • Küçük Resim Yok
    Öğe
    Structure of less simple liquid alloys
    (Natl Inst Optoelectronics, 2005) Kes, H; Dalgic, SS; Dalgic, S
    The transferability of the local evanescent core (EC) pseudopotential to less-simple liquid binary alloys is assessed. The structural properties of liquid Ag-In alloys at different compositions are calculated using the Variational Modified Hypernetted Chain (VMHNC) integral equation theory of liquids with the effective pair potentials derived from the evanescent core electron-ion potential constructed by Nogueira, Fiolhais and Perdew for the solid state. Comparison with the results those obtained by other different forms of the model pseudopotentials and experimental data confirms the ability of the universal density dependent version of the EC potential to be used in the case of liquid less-simple metals and metal alloys.
  • Küçük Resim Yok
    Öğe
    Structure of liquid alikaline earth metals and metal alloys using a new transferable local pseudopotential
    (Natl Inst Optoelectronics, 2003) Kes, H; Dalgic, SS; Dalgic, S; Tezgor, G
    In this work, we have obtained the structural properties of liquid Ca, Sr and Ba near their melting points using the thermodynamically self consistent liquid state theory, the variational modified hypernetted chain (VMHNC) approximation with the effective pair potentials which are derived from the second order perturbation theory using the recently proposed transferable electron-ion potential of Fiolhais and co-workers. One has been noted that this potential is non realistic for the alkaline earths (Ca, Sr, Ba) because of the strongly nonlocal character. In this work, it has been shown that the computed structure factors and pair distribution functions near their melting points are in good agreement with experimental data. It has been also applied to the liquid alloys to predict the pair interactions and the partial structure factors by taking Li-Ba. as a model alloy, The structural properties of Li-Ba alloys are presented for different concentrations by comparing with experimental data.