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'Liquid structure' in keywords Facet   Publication Year 2001  [X]
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1Author    O. Akinlade, Z. Badirkhan3, G. PastorebRequires cookie*
 Title    Thermodynamics and Structure of Liquid Metals from a New Consistent Optimized Random Phase Approximation  
 Abstract    We study thermodynamics and structural properties of several liquid metals to assess the validity of the generalized non-local model potential (GNMP) of Li et al. [J. Phys. F16, 309 (1986)]. By using a new thermodynamically consistent version of the optimized random phase approx­ imation (ORPA), especially adapted to continuous reference potentials, we improve our previous results obtained within the variational approach based on the Gibbs -Bogoliubov inequality. Hinging on the unified and very accurate evaluation of structure factors and thermodynamic quantities provided by the ORPA, we find that the GNMP yields satisfactory results for the alkali metals. Those for the polyvalent metals, however, point to a substantial inadequacy of the GNMP for high valence systems. 
  Reference    Z. Naturforsch. 56a, 605—612 (2001); received March 1 2001 
  Published    2001 
  Keywords    Liquid Metals, Liquid Structure, ORPA, Pseudopotentials, Thermodynamics 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0605.pdf 
 Identifier    ZNA-2001-56a-0605 
 Volume    56 
2Author    Z. Akdeniza, M. P. TosiaRequires cookie*
 Title    Structure and Binding of Ionic Clusters in Th and Zr Chloride Melts  
 Abstract    We discuss microscopic ionic models for the structure and the binding of small clusters which may exist as structural units in molten ThCl4 and ZrCl4 and in their mixtures with alkali halides according to Raman scattering studies of Photiadis and Papatheodorou. The models are adjusted to the two isolated tetrahedral molecules. Appreciably higher ionicity is found for ThCl4 than for ZrCl4, and this fact underlies the strikingly different behaviour of the two systems in the dense liquid state -in particular, a molecular-type structure for molten ZrCl4 against a structure including charged oligomers in molten ThCl4. 
  Reference    Z. Naturforsch. 56a, 717—720 (2001); received September 10 2001 
  Published    2001 
  Keywords    Ionic Clusters, Liquid Structure, Molten Salts 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0717.pdf 
 Identifier    ZNA-2001-56a-0717 
 Volume    56